Analyte Name

(3alpha,5beta)-3,18,21-Trihydroxypregnane-11,20-dione

CAS Number

7050-24-0

Molecular Formula

C21 H32 O5

Molecular Weight

364.476

Accurate Mass

364.225

SMILES

C[C@]12CC[C@@H](O)C[C@H]1CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@@]4(CO)CC(=O)[C@H]23

InChI

InChI=1S/C21H32O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h12-16,19,22-24H,2-11H2,1H3/t12-,13-,14+,15+,16-,19-,20+,21-/m1/s1

IUPAC

(3R,5R,8S,9S,10S,13R,14S,17S)-3-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat