Analyte Name

21-(3-Carboxy-1-oxopropoxy)-17-hydroxy-pregn-4-ene-3,20-dione Monosodium Salt

CAS Number

70795-33-4

Molecular Formula

C25 H33 O7 . Na

Molecular Weight

468.515

Accurate Mass

468.212

SMILES

[Na].C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@]4(O)C(=O)COC(=O)CCC(=O)[O]

InChI

InChI=1S/C25H33O7.Na.H/c1-23-10-7-16(26)13-15(23)3-4-17-18(23)8-11-24(2)19(17)9-12-25(24,31)20(27)14-32-22(30)6-5-21(28)29;;/h13,17-19,31H,3-12,14H2,1-2H3;;/t17-,18+,19+,23+,24+,25+;;/m1../s1

IUPAC

[2-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-?1-oxidanyl-4-oxobutanoate;sodium hydride

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat