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

Systemtic Name: (3S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-17-[(2Z,5E)-4-methyl-5-propan-2-yl-hepta-2,5-dien-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol Openeye Name: (3S,8R,9S,10S,13S,14S,17R)-17-[(1Z,4E)-4-isopropyl-1,3-dimethyl-hexa-1,4-dienyl]-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,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-17-[(2Z,5E)-4-methyl-5-propan-2-ylhepta-2,5-dien-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol IUPAC Name: (3S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-17-[(2Z,5E)-4-methyl-5-propan-2-ylhepta-2,5-dien-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol Traditional Name: (3S,8R,9S,10S,13S,14S,17R)-17-[(1Z,4E)-4-isopropyl-1,3-dimethyl-hexa-1,4-dienyl]-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: C30H50O MolecularWeight: 426.7174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C(\C(C)C)/C(C)/C=C(/C)\[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC[C@@H](C4)O)C)C

InChI

InChI=1S/C30H50O/c1-8-24(19(2)3)20(4)17-21(5)26-11-12-27-25-10-9-22-18-23(31)13-15-29(22,6)28(25)14-16-30(26,27)7/h8,17,19-20,22-23,25-28,31H,9-16,18H2,1-7H3/b21-17-,24-8+/t20?,22?,23-,25-,26+,27-,28-,29-,30+/m0/s1