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

Systemtic Name: (2S,3R,5S,9R,10R,13R,17S)-17-[(2R,5S)-5,6-dimethyl-2,3,6-tris(oxidanyl)heptan-2-yl]-10,13-dimethyl-2,3,5,14-tetrakis(oxidanyl)-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one Openeye Name: (2S,3R,5S,9R,10R,13R,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(1R,4S)-1,2,5-trihydroxy-1,4,5-trimethyl-hexyl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one CAS Name: (2S,3R,5S,9R,10R,13R,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(2R,5S)-2,3,6-trihydroxy-5,6-dimethylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one IUPAC Name: (2S,3R,5S,9R,10R,13R,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(2R,5S)-2,3,6-trihydroxy-5,6-dimethylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one Traditional Name: (2S,3R,5S,9R,10R,13R,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(1R,4S)-1,2,5-trihydroxy-1,4,5-trimethyl-hexyl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one Formula: C28H46O8 MolecularWeight: 510.66004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](CC([C@@](C)([C@H]1CCC2([C@@]1(CC[C@H]3C2=CC(=O)[C@]4([C@@]3(C[C@@H]([C@@H](C4)O)O)C)O)C)O)O)O)C(C)(C)O

InChI

InChI=1S/C28H46O8/c1-15(23(2,3)33)11-21(31)26(6,34)20-8-10-27(35)17-12-22(32)28(36)14-19(30)18(29)13-25(28,5)16(17)7-9-24(20,27)4/h12,15-16,18-21,29-31,33-36H,7-11,13-14H2,1-6H3/t15-,16-,18-,19+,20-,21?,24+,25+,26+,27?,28+/m0/s1