(3R,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-2,3,6,7,8,9,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-11-one

Systemtic Name: (3R,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-2,3,6,7,8,9,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-11-one Openeye Name: (3R,8S,9S,10R,13S,14S,17R)-3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,6,7,8,9,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-11-one CAS Name: (3R,8S,9S,10R,13S,14S,17R)-3,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-2,3,6,7,8,9,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-11-one IUPAC Name: (3R,8S,9S,10R,13S,14S,17R)-3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,6,7,8,9,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-11-one Traditional Name: (3R,8S,9S,10R,13S,14S,17R)-17-glycoloyl-3,17-dihydroxy-10,13-dimethyl-2,3,6,7,8,9,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-11-one Formula: C21H30O5 MolecularWeight: 362.4599

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C)O

Isomeric SMILES

C[C@]12CC[C@H](C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O

InChI

InChI=1S/C21H30O5/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/h9,13-15,18,22-23,26H,3-8,10-11H2,1-2H3/t13-,14+,15+,18-,19+,20+,21+/m1/s1