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1-[(3S)-10,13-dimethyl-17-octyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-3,3,4,4,4-pentakis(fluoranyl)butan-2-one

1-[(3S)-10,13-dimethyl-17-octyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-3,3,4,4,4-pentakis(fluoranyl)butan-2-one

Systemtic Name:1-[(3S)-10,13-dimethyl-17-octyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-3,3,4,4,4-pentakis(fluoranyl)butan-2-one
Openeye Name:1-[(3S)-10,13-dimethyl-17-octyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-3,3,4,4,4-pentafluoro-butan-2-one
CAS Name:1-[(3S)-10,13-dimethyl-17-octyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-3,3,4,4,4-pentafluoro-2-butanone
IUPAC Name:1-[(3S)-10,13-dimethyl-17-octyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-3,3,4,4,4-pentafluorobutan-2-one
Traditional Name:1-[(3S)-10,13-dimethyl-17-octyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-3,3,4,4,4-pentafluoro-butan-2-one
Formula: C31H49F5O
MolecularWeight: 532.712176
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC2C1(CCC3C2CCC4C3(CCC(C4)CC(=O)C(C(F)(F)F)(F)F)C)C


Isomeric SMILES

CCCCCCCCC1CCC2C1(CCC3C2CCC4C3(CC[C@@H](C4)CC(=O)C(C(F)(F)F)(F)F)C)C


InChI

InChI=1S/C31H49F5O/c1-4-5-6-7-8-9-10-22-12-14-25-24-13-11-23-19-21(20-27(37)30(32,33)31(34,35)36)15-17-29(23,3)26(24)16-18-28(22,25)2/h21-26H,4-20H2,1-3H3/t21-,22?,23?,24?,25?,26?,28?,29?/m0/s1


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