(5R,8S,9S,10S,13S,14S,17R)-10,13-dimethyl-17-oxidanyl-17-(2-oxidanylethanoyl)-4,5,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-1,11-dione

Systemtic Name: (5R,8S,9S,10S,13S,14S,17R)-10,13-dimethyl-17-oxidanyl-17-(2-oxidanylethanoyl)-4,5,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-1,11-dione Openeye Name: (5R,8S,9S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-4,5,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-1,11-dione CAS Name: (5R,8S,9S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-4,5,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-1,11-dione IUPAC Name: (5R,8S,9S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-4,5,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-1,11-dione Traditional Name: (5R,8S,9S,10S,13S,14S,17R)-17-glycoloyl-17-hydroxy-10,13-dimethyl-4,5,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-1,11-quinone Formula: C21H28O5 MolecularWeight: 360.44402

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4C3(C(=O)C=CC4)C

Isomeric SMILES

C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CC[C@H]4[C@@]3(C(=O)C=CC4)C

InChI

InChI=1S/C21H28O5/c1-19-10-15(23)18-13(14(19)8-9-21(19,26)17(25)11-22)7-6-12-4-3-5-16(24)20(12,18)2/h3,5,12-14,18,22,26H,4,6-11H2,1-2H3/t12-,13-,14-,18+,19-,20+,21-/m0/s1