(3S,5S,6S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2R,3R)-6-methyl-2,3-bis(oxidanyl)heptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol

Systemtic Name: (3S,5S,6S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2R,3R)-6-methyl-2,3-bis(oxidanyl)heptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol Openeye Name: (3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[(1R,2R)-1,2-dihydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol CAS Name: (3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol IUPAC Name: (3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol Traditional Name: (3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[(1R,2R)-1,2-dihydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol Formula: C27H48O4 MolecularWeight: 436.66762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C(C)(C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C)O)O

Isomeric SMILES

CC(C)CC[C@H]([C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)C)O)O

InChI

InChI=1S/C27H48O4/c1-16(2)6-9-24(30)27(5,31)23-8-7-19-18-15-22(29)21-14-17(28)10-12-25(21,3)20(18)11-13-26(19,23)4/h16-24,28-31H,6-15H2,1-5H3/t17-,18-,19-,20-,21+,22-,23-,24+,25+,26-,27+/m0/s1