16alpha,17-Epoxy-11beta,21-dihydroxy-pregna-1,4-diene-3,20-dione

Analyte Name

16alpha,17-Epoxy-11beta,21-dihydroxy-pregna-1,4-diene-3,20-dione

CAS Number

111186-92-6

Molecular Formula

C21 H26 O5

Molecular Weight

358.428

Accurate Mass

358.178

SMILES

C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]5O[C@@]25C(=O)CO

InChI

InChI=1S/C21H26O5/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-17-21(26-17,16(25)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-15,17-18,22,24H,3-4,8-10H2,1-2H3/t13-,14-,15-,17+,18+,19-,20-,21+/m0/s1

IUPAC

(1S,2S,4R,6S,7S,9S,10S,11R)-9-hydroxy-6-(2-hydroxyacetyl)-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadeca-12,15-dien-14-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat