(3S,6S,8R,9S,10R,12R,13R,14R,17S)-4,4,10,14-tetramethyl-17-[(2S)-6-methyl-2-oxidanyl-heptan-2-yl]-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,12-triol

Systemtic Name: (3S,6S,8R,9S,10R,12R,13R,14R,17S)-4,4,10,14-tetramethyl-17-[(2S)-6-methyl-2-oxidanyl-heptan-2-yl]-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,12-triol Openeye Name: (3S,6S,8R,9S,10R,12R,13R,14R,17S)-17-[(1S)-1-hydroxy-1,5-dimethyl-hexyl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,12-triol CAS Name: (3S,6S,8R,9S,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylheptan-2-yl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,12-triol IUPAC Name: (3S,6S,8R,9S,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylheptan-2-yl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,12-triol Traditional Name: (3S,6S,8R,9S,10R,12R,13R,14R,17S)-17-[(1S)-1-hydroxy-1,5-dimethyl-hexyl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,12-triol Formula: C29H52O4 MolecularWeight: 464.72078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)(C1CCC2(C1C(CC3C2CC(C4C3(CCC(C4(C)C)O)C)O)O)C)O

Isomeric SMILES

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

InChI

InChI=1S/C29H52O4/c1-17(2)9-8-12-29(7,33)18-10-13-27(5)19-16-22(31)25-26(3,4)23(32)11-14-28(25,6)20(19)15-21(30)24(18)27/h17-25,30-33H,8-16H2,1-7H3/t18-,19+,20-,21+,22-,23-,24-,25?,27+,28+,29-/m0/s1