(3S,10R,13R,14R,17R)-17-[(2R,5S)-5-ethyl-5,6-dimethyl-6-oxidanyl-heptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Systemtic Name: (3S,10R,13R,14R,17R)-17-[(2R,5S)-5-ethyl-5,6-dimethyl-6-oxidanyl-heptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol Openeye Name: (3S,10R,13R,14R,17R)-17-[(1R,4S)-4-ethyl-5-hydroxy-1,4,5-trimethyl-hexyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol CAS Name: (3S,10R,13R,14R,17R)-17-[(2R,5S)-5-ethyl-6-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol IUPAC Name: (3S,10R,13R,14R,17R)-17-[(2R,5S)-5-ethyl-6-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol Traditional Name: (3S,10R,13R,14R,17R)-17-[(1R,4S)-4-ethyl-5-hydroxy-1,4,5-trimethyl-hexyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol Formula: C30H50O2 MolecularWeight: 442.7168

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CCC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C)C(C)(C)O

Isomeric SMILES

CC[C@@](C)(CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCC3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)(C)O

InChI

InChI=1S/C30H50O2/c1-8-28(5,27(3,4)32)16-13-20(2)24-11-12-25-23-10-9-21-19-22(31)14-17-29(21,6)26(23)15-18-30(24,25)7/h9-10,20,22,24-26,31-32H,8,11-19H2,1-7H3/t20-,22+,24-,25+,26?,28+,29+,30-/m1/s1