(3S,5R,8R,9S,10S,11S,13S,14S,17R)-13-(hydroxymethyl)-4,4,10,14-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol

Systemtic Name: (3S,5R,8R,9S,10S,11S,13S,14S,17R)-13-(hydroxymethyl)-4,4,10,14-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol Openeye Name: (3S,5R,8R,9S,10S,11S,13S,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-13-(hydroxymethyl)-4,4,10,14-tetramethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol CAS Name: (3S,5R,8R,9S,10S,11S,13S,14S,17R)-13-(hydroxymethyl)-4,4,10,14-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol IUPAC Name: (3S,5R,8R,9S,10S,11S,13S,14S,17R)-13-(hydroxymethyl)-4,4,10,14-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol Traditional Name: (3S,5R,8R,9S,10S,11S,13S,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-4,4,10,14-tetramethyl-13-methylol-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol Formula: C30H54O3 MolecularWeight: 462.74796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2(C1(CC(C3C2CCC4C3(CCC(C4(C)C)O)C)O)CO)C

Isomeric SMILES

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

InChI

InChI=1S/C30H54O3/c1-19(2)9-8-10-20(3)21-13-16-29(7)22-11-12-24-27(4,5)25(33)14-15-28(24,6)26(22)23(32)17-30(21,29)18-31/h19-26,31-33H,8-18H2,1-7H3/t20-,21-,22-,23+,24+,25+,26-,28+,29+,30+/m1/s1