Analyte Name

5,6-Tribromo-3beta-hydroxy-16-pregnen-20-one Acetate

CAS Number

2396744-39-9

Molecular Formula

C23H31Br3O3

Molecular Weight

595.2

Accurate Mass

591.98

SMILES

BrC12C[C@@H](OC(C)=O)CC[C@]1(C)C3[C@@](C(C(Br)C=C4C(C)=O)[C@]4(C)CC3)([H])CC2Br

InChI

InChI=1S/C23H31Br3O3/c1-12(27)17-10-18(24)20-15-9-19(25)23(26)11-14(29-13(2)28)5-8-22(23,4)16(15)6-7-21(17,20)3/h10,14-16,18-20H,5-9,11H2,1-4H3/t14-,15+,16?,18?,19?,20?,21+,22+,23?/m0/s1

IUPAC

(3S,8R,10R,13S)-17-acetyl-5,6,15-tribromo-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat