11beta,20-Dihydroxy-3-oxo-Pregna-1,4-dien-21-oic Acid

Analyte Name

11beta,20-Dihydroxy-3-oxo-Pregna-1,4-dien-21-oic Acid

CAS Number

75448-52-1

Molecular Formula

C21 H28 O5

Molecular Weight

360.444

Accurate Mass

360.194

SMILES

C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(O)C(=O)O

InChI

InChI=1S/C21H28O5/c1-20-8-7-12(22)9-11(20)3-4-13-14-5-6-15(18(24)19(25)26)21(14,2)10-16(23)17(13)20/h7-9,13-18,23-24H,3-6,10H2,1-2H3,(H,25,26)/t13-,14-,15+,16-,17+,18?,20-,21-/m0/s1

IUPAC

2-hydroxy-2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]acetic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat