Analyte Name

Medratriene Bromohydrin

CAS Number

110664-58-9

Molecular Formula

C22H29BrO4

Molecular Weight

437.37

Accurate Mass

436.12

SMILES

Br[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)[C@](C(C)=O)(O)CC3)[H])(C[C@H](C)C=4[C@]2(C)C=CC(=O)C4)[H]

InChI

InChI=1S/C22H29BrO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat