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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)(C1C(CC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O)O

Isomeric SMILES

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

InChI

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