(8S,9S,10R,13S,14S,17R)-17-[(Z)-1,2-bis(oxidanyl)ethenyl]-10,13-dimethyl-17-oxidanyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione

Systemtic Name: (8S,9S,10R,13S,14S,17R)-17-[(Z)-1,2-bis(oxidanyl)ethenyl]-10,13-dimethyl-17-oxidanyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione Openeye Name: (8S,9S,10R,13S,14S,17R)-17-[(Z)-1,2-dihydroxyvinyl]-17-hydroxy-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione CAS Name: (8S,9S,10R,13S,14S,17R)-17-[(Z)-1,2-dihydroxyethenyl]-17-hydroxy-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione IUPAC Name: (8S,9S,10R,13S,14S,17R)-17-[(Z)-1,2-dihydroxyethenyl]-17-hydroxy-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione Traditional Name: (8S,9S,10R,13S,14S,17R)-17-[(Z)-1,2-dihydroxyvinyl]-17-hydroxy-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-quinone Formula: C21H26O5 MolecularWeight: 358.42814

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(=O)C3C(C1CCC2(C(=CO)O)O)CCC4=CC(=O)C=CC34C

Isomeric SMILES

C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(/C(=C/O)/O)O)CCC4=CC(=O)C=C[C@]34C

InChI

InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,11,14-15,18,22,25-26H,3-4,6,8,10H2,1-2H3/b17-11-/t14-,15-,18+,19-,20-,21-/m0/s1