(11b,17E)-11,20-dihydroxy-3-oxo-pregna-4,17(20)-dien-21-al

Analyte Name

(11beta,17E)-11,20-dihydroxy-3-oxo-pregna-4,17(20)-dien-21-al

CAS Number

105562-12-7

Molecular Formula

C21H28O4

Molecular Weight

344.44

Accurate Mass

344.1988

SMILES

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

InChI

InChI=1S/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,11,14-15,17,19,24-25H,3-8,10H2,1-2H3/b18-16+/t14-,15-,17-,19+,20-,21-/m0/s1

IUPAC

(2E)-2-hydroxy-2-[(8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene]acetaldehyde

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat