Analyte Name

6beta,17-Dihydroxy-pregna-1,4-diene-3,20-dione

CAS Number

95042-81-2

Molecular Formula

C21 H28 O4

Molecular Weight

344.445

Accurate Mass

344.199

SMILES

CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C

InChI

InChI=1S/C21H28O4/c1-12(22)21(25)9-6-16-14-11-18(24)17-10-13(23)4-7-19(17,2)15(14)5-8-20(16,21)3/h4,7,10,14-16,18,24-25H,5-6,8-9,11H2,1-3H3/t14-,15+,16+,18-,19-,20+,21+/m1/s1

IUPAC

(6R,8R,9S,10R,13S,14S,17R)-17-acetyl-6,17-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat