(3S,8R,9S,10S,13R,14S,17R)-17-(2,10-dimethylundecan-6-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,8R,9S,10S,13R,14S,17R)-17-(2,10-dimethylundecan-6-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,8R,9S,10S,13R,14S,17R)-17-(1-isohexyl-5-methyl-hexyl)-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,13R,14S,17R)-17-(2,10-dimethylundecan-6-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,8R,9S,10S,13R,14S,17R)-17-(2,10-dimethylundecan-6-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,8R,9S,10S,13R,14S,17R)-17-(1-isohexyl-5-methyl-hexyl)-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: C32H58O MolecularWeight: 458.80232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CCCC(CCCC(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/C32H58O/c1-22(2)9-7-11-24(12-8-10-23(3)4)28-15-16-29-27-14-13-25-21-26(33)17-19-31(25,5)30(27)18-20-32(28,29)6/h22-30,33H,7-21H2,1-6H3/t25?,26-,27-,28+,29-,30-,31-,32+/m0/s1