(3S,5S,9R,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3,5,14-tris(oxidanyl)-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one

Systemtic Name: (3S,5S,9R,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3,5,14-tris(oxidanyl)-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one Openeye Name: (3S,5S,9R,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3,5,14-trihydroxy-10,13-dimethyl-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one CAS Name: (3S,5S,9R,10R,13R,14S,17R)-3,5,14-trihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one IUPAC Name: (3S,5S,9R,10R,13R,14S,17R)-3,5,14-trihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one Traditional Name: (3S,5S,9R,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3,5,14-trihydroxy-10,13-dimethyl-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one Formula: C27H44O4 MolecularWeight: 432.63586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2(C1(CCC3C2=CC(=O)C4(C3(CCC(C4)O)C)O)C)O

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@]4([C@@]3(CC[C@@H](C4)O)C)O)C)O

InChI

InChI=1S/C27H44O4/c1-17(2)7-6-8-18(3)20-11-14-26(30)22-15-23(29)27(31)16-19(28)9-12-25(27,5)21(22)10-13-24(20,26)4/h15,17-21,28,30-31H,6-14,16H2,1-5H3/t18-,19+,20-,21+,24-,25-,26-,27-/m1/s1