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

Systemtic Name: disodium; butanedioate; (10R,11R,13S,17R)-10,13-dimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one Openeye Name: disodium; butanedioate; (10R,11R,13S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one CAS Name: disodium; butanedioate; (10R,11R,13S,17R)-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one IUPAC Name: disodium; butanedioate; (10R,11R,13S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one Traditional Name: disodium; (10R,11R,13S,17R)-17-glycoloyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one; succinate Formula: C25H34Na2O9 MolecularWeight: 524.5116

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O.C(CC(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C[C@]12CCC(=O)C=C1CCC3C2[C@@H](C[C@]4(C3CC[C@@]4(C(=O)CO)O)C)O.C(CC(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C21H30O5.C4H6O4.2Na/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;5-3(6)1-2-4(7)8;;/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3;1-2H2,(H,5,6)(H,7,8);;/q;;2*+1/p-2/t14?,15?,16-,18?,19+,20+,21+;;;/m1.../s1