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

Systemtic Name: (3R,4R,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-1-oxidanyl-heptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol Openeye Name: (3R,4R,8S,9S,10R,13S,14S,17R)-17-[(1R)-1-(hydroxymethyl)-5-methyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol CAS Name: (3R,4R,8S,9S,10R,13S,14S,17R)-17-[(2R)-1-hydroxy-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-3,4-diol IUPAC Name: (3R,4R,8S,9S,10R,13S,14S,17R)-17-[(2R)-1-hydroxy-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-3,4-diol Traditional Name: (3R,4R,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(1R)-5-methyl-1-methylol-hexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol Formula: C27H48O3 MolecularWeight: 420.66822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(CO)C1CCC2C1(CCC3C2CCC4C3(CCC(C4O)O)C)C

Isomeric SMILES

CC(C)CCC[C@@H](CO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC[C@H]([C@@H]4O)O)C)C

InChI

InChI=1S/C27H48O3/c1-17(2)6-5-7-18(16-28)20-10-11-21-19-8-9-23-25(30)24(29)13-15-27(23,4)22(19)12-14-26(20,21)3/h17-25,28-30H,5-16H2,1-4H3/t18-,19-,20+,21-,22-,23?,24+,25+,26+,27+/m0/s1