Molecule FYI-1004100

A

Molecule Summary:

ID: FYI-1004100
Names:
InChIKey: NGFFRJBGMSPDMS-UHFFFAOYSA-N
SMILES: CC5=CCC4(C)CCC3(C)C(CCC2C1(C)CCC(O)C(C)(C)C1CCC23C)C4C5C

Received at FYIcenter.com on: 2023-08-11

Molecule ID: FYI-1004100 Edit

Molecule Structure InChIKey: NGFFRJBGMSPDMS-UHFFFAOYSA-N

Molecule Structure SMILES String: CC5=CCC4(C)CCC3(C)C(CCC2C1(C)CCC(O)C(C)(C)C1CCC23C)C4C5C

Download SDF Download SVG Structure in 2D SDF:

FYI-1004100
FYIcenter.com

 31 35  0  0  0  0  0  0  0  0999 V2000
    5.1736    2.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9631    2.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7526    2.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7526    4.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9631    4.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9631    6.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7526    6.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7526    8.3869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9631    9.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9631   10.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7526   11.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5419   10.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5419    9.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3314    8.3869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3314    6.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5419    6.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5419    4.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3314    4.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3314    2.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5419    2.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5419    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7526    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9631    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1736    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3314    1.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4165    5.8144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8432   11.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1443   10.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7526   12.5803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9631    7.6880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16  7  1  0  0  0  0
 17 16  1  0  0  0  0
 17  4  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20  3  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23  2  1  0  0  0  0
 24 23  1  0  0  0  0
 25 20  1  0  0  0  0
 26 17  1  0  0  0  0
 27 16  1  0  0  0  0
 28 12  1  0  0  0  0
 29 12  1  0  0  0  0
 30 11  1  0  0  0  0
 31  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004100-3D
FYIcenter.com

 81 85  0  0  1  0  0  0  0  0999 V2000
    0.7823    0.3543   -1.3801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3880   -0.1565   -0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4342    0.2415    1.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4646   -0.6182    3.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1816   -1.9892    3.0827 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7823   -3.0610    4.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1284   -1.4837    3.6378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0821   -0.0303    3.3107 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4449    0.0604    1.7916 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0296    0.1115    1.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7234   -1.5588    1.2844 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2079   -1.3298    0.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7250    0.4218   -0.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6023    1.9059   -0.0586 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2163    3.1886   -0.6831 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5728    3.4088    0.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6708    2.9122   -2.2032 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8749    4.1854   -3.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5952    4.9784   -2.9314 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4671    5.8752   -4.0192 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3431    5.5502   -1.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2623    6.6355   -1.6531 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4571    6.2500   -0.6726 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9919    4.2324   -0.7355 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2129    4.3391    0.5645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    3.0658    0.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1485    1.8763    1.2918 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3679    2.4919    2.7535 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7808   -2.5885    1.4446 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6326   -1.8665    0.0052 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5617   -2.3051   -0.8537 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4458    1.3965   -1.4327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1953   -0.0907   -1.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4062    0.0940   -2.2325 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1176    1.0471    1.6339 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3715    0.0721    3.8494 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4812   -1.0354    3.1041 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8089   -2.6915    5.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8191   -3.2823    3.7260 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2076   -3.9840    3.9719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2509   -1.6532    4.7088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9689   -1.9847    3.1390 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5411    0.4739    4.0464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0668    0.4142    3.4923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5118   -0.8653    1.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0892    0.5791    0.1611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7072    0.7578    1.7192 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5707   -2.0775    1.8227 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0464   -1.7941   -0.9404 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1006   -1.7877    0.4822 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0050    0.4116   -1.4412 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6390    0.5896    0.2095 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0071    1.8171   -0.9289 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2650    2.5901   -0.2367 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5014    3.4123    1.1068 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1246    4.2807   -0.3381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9158    2.3034   -2.7227 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5985    2.3306   -2.2667 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1033    3.9408   -4.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7236    4.7715   -2.6545 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7794    4.2644   -3.1389 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9988    5.3635   -4.7123 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6853    7.4551   -2.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9607    7.0910   -0.7056 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3721    6.2728   -2.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2977    6.5946   -1.2729 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8294    5.6355    0.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0649    7.1009   -0.1012 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2339    3.7598   -1.3800 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6029    5.2440    0.6110 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9708    4.4525    1.3414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2567    2.8439   -0.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5350    3.3362    1.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5321    3.5583    2.8577 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1209    2.0091    3.3551 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3940    2.3917    3.2797 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2249   -3.5946    1.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523   -2.4124   -0.6415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5260   -1.9037   -0.5620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6273   -3.3993   -0.8461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3885   -2.0461   -1.9086 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  2  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 29  1  0  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  6 40  1  0  0  0  0
  7  8  1  0  0  0  0
  7 41  1  0  0  0  0
  7 42  1  0  0  0  0
  8  9  1  0  0  0  0
  8 43  1  0  0  0  0
  8 44  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 27  1  0  0  0  0
 10 45  1  0  0  0  0
 10 46  1  0  0  0  0
 10 47  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 11 48  1  0  0  0  0
 12 13  1  0  0  0  0
 12 49  1  0  0  0  0
 12 50  1  0  0  0  0
 13 14  1  0  0  0  0
 13 51  1  0  0  0  0
 13 52  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
 14 53  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 24  1  0  0  0  0
 16 54  1  0  0  0  0
 16 55  1  0  0  0  0
 16 56  1  0  0  0  0
 17 18  1  0  0  0  0
 17 57  1  0  0  0  0
 17 58  1  0  0  0  0
 18 19  1  0  0  0  0
 18 59  1  0  0  0  0
 18 60  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 61  1  0  0  0  0
 20 62  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 63  1  0  0  0  0
 22 64  1  0  0  0  0
 22 65  1  0  0  0  0
 23 66  1  0  0  0  0
 23 67  1  0  0  0  0
 23 68  1  0  0  0  0
 24 25  1  0  0  0  0
 24 69  1  0  0  0  0
 25 26  1  0  0  0  0
 25 70  1  0  0  0  0
 25 71  1  0  0  0  0
 26 27  1  0  0  0  0
 26 72  1  0  0  0  0
 26 73  1  0  0  0  0
 27 28  1  0  0  0  0
 28 74  1  0  0  0  0
 28 75  1  0  0  0  0
 28 76  1  0  0  0  0
 29 30  1  0  0  0  0
 29 77  1  0  0  0  0
 30 31  1  0  0  0  0
 30 78  1  0  0  0  0
 31 79  1  0  0  0  0
 31 80  1  0  0  0  0
 31 81  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-25, 2226👍, 0💬