(3S,10S,13R)-17-[(E)-5-ethyl-6-methyl-6-oxidanyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

Systemtic Name: (3S,10S,13R)-17-[(E)-5-ethyl-6-methyl-6-oxidanyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol Openeye Name: (3S,10S,13R)-17-[(E)-4-ethyl-5-hydroxy-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol CAS Name: (3S,10S,13R)-17-[(E)-5-ethyl-6-hydroxy-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol IUPAC Name: (3S,10S,13R)-17-[(E)-5-ethyl-6-hydroxy-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol Traditional Name: (3S,10S,13R)-17-[(E)-4-ethyl-5-hydroxy-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol Formula: C29H50O2 MolecularWeight: 430.7061

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=CC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)C(C)(C)O

Isomeric SMILES

CCC(/C=C/C(C)C1CCC2[C@@]1(CCC3C2CCC4[C@@]3(CC[C@@H](C4)O)C)C)C(C)(C)O

InChI

InChI=1S/C29H50O2/c1-7-20(27(3,4)31)9-8-19(2)24-12-13-25-23-11-10-21-18-22(30)14-16-28(21,5)26(23)15-17-29(24,25)6/h8-9,19-26,30-31H,7,10-18H2,1-6H3/b9-8+/t19?,20?,21?,22-,23?,24?,25?,26?,28-,29+/m0/s1