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

Systemtic Name: (4S,5S,8R,9S,10S,13R,14S,17R)-4,10,13,14-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,4,5,6,8,9,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7,11-trione Openeye Name: (4S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-4,10,13,14-tetramethyl-2,4,5,6,8,9,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7,11-trione CAS Name: (4S,5S,8R,9S,10S,13R,14S,17R)-4,10,13,14-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,4,5,6,8,9,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7,11-trione IUPAC Name: (4S,5S,8R,9S,10S,13R,14S,17R)-4,10,13,14-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,4,5,6,8,9,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7,11-trione Traditional Name: (4S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-4,10,13,14-tetramethyl-2,4,5,6,8,9,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7,11-trione Formula: C29H46O3 MolecularWeight: 442.67374

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CC(=O)C3C(C2(CCC1=O)C)C(=O)CC4(C3(CCC4C(C)CCCC(C)C)C)C

Isomeric SMILES

C[C@H]1[C@@H]2CC(=O)[C@@H]3[C@@H]([C@]2(CCC1=O)C)C(=O)C[C@]4([C@]3(CC[C@@H]4[C@H](C)CCCC(C)C)C)C

InChI

InChI=1S/C29H46O3/c1-17(2)9-8-10-18(3)20-11-14-28(6)26-23(31)15-21-19(4)22(30)12-13-27(21,5)25(26)24(32)16-29(20,28)7/h17-21,25-26H,8-16H2,1-7H3/t18-,19+,20-,21+,25+,26-,27+,28+,29-/m1/s1