sodium 4-[2-[(8S,9S,10R,11S,13S,14S,17R)-17-acetyloxy-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethoxy]-4-oxidanylidene-butanoate

Systemtic Name: sodium 4-[2-[(8S,9S,10R,11S,13S,14S,17R)-17-acetyloxy-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethoxy]-4-oxidanylidene-butanoate Openeye Name: sodium 4-[2-[(8S,9S,10R,11S,13S,14S,17R)-17-acetoxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]-4-oxo-butanoate CAS Name: sodium 4-[2-[(8S,9S,10R,11S,13S,14S,17R)-17-acetyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoate IUPAC Name: sodium 4-[2-[(8S,9S,10R,11S,13S,14S,17R)-17-acetyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoate Traditional Name: sodium 4-[2-[(8S,9S,10R,11S,13S,14S,17R)-17-acetoxy-11-hydroxy-3-keto-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethoxy]-4-keto-butyrate Formula: C27H33NaO9 MolecularWeight: 524.53529

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C(=O)COC(=O)CCC(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)COC(=O)CCC(=O)[O-].[Na+]

InChI

InChI=1S/C27H34O9.Na/c1-15(28)36-27(21(31)14-35-23(34)7-6-22(32)33)11-9-19-18-5-4-16-12-17(29)8-10-25(16,2)24(18)20(30)13-26(19,27)3;/h8,10,12,18-20,24,30H,4-7,9,11,13-14H2,1-3H3,(H,32,33);/q;+1/p-1/t18-,19-,20-,24+,25-,26-,27-;/m0./s1