sodium 4-oxidanylidene-4-[2-oxidanylidene-2-[(10S,13S,17R)-1,10,13-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethoxy]butanoate

Systemtic Name: sodium 4-oxidanylidene-4-[2-oxidanylidene-2-[(10S,13S,17R)-1,10,13-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethoxy]butanoate Openeye Name: sodium 4-[2-[(10S,13S,17R)-11,17-dihydroxy-1,10,13-trimethyl-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-[(10S,13S,17R)-11,17-dihydroxy-1,10,13-trimethyl-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-[(10S,13S,17R)-11,17-dihydroxy-1,10,13-trimethyl-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-[(10S,13S,17R)-11,17-dihydroxy-3-keto-1,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethoxy]-4-keto-butyrate Formula: C26H33NaO8 MolecularWeight: 496.52519

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C=C2C1(C3C(CC2)C4CCC(C4(CC3O)C)(C(=O)COC(=O)CCC(=O)[O-])O)C.[Na+]

Isomeric SMILES

CC1=CC(=O)C=C2[C@]1(C3C(CC2)C4CC[C@@]([C@]4(CC3O)C)(C(=O)COC(=O)CCC(=O)[O-])O)C.[Na+]

InChI

InChI=1S/C26H34O8.Na/c1-14-10-16(27)11-15-4-5-17-18-8-9-26(33,20(29)13-34-22(32)7-6-21(30)31)24(18,2)12-19(28)23(17)25(14,15)3;/h10-11,17-19,23,28,33H,4-9,12-13H2,1-3H3,(H,30,31);/q;+1/p-1/t17?,18?,19?,23?,24-,25-,26-;/m0./s1