(16alpha)-17-Hydroxy-16-methyl-21-[(methylsulfonyl)oxy]pregna-1,4,9(11)-triene-3,20-dione

Analyte Name

(16alpha)-17-Hydroxy-16-methyl-21-[(methylsulfonyl)oxy]pregna-1,4,9(11)-triene-3,20-dione

CAS Number

23776-75-2

Molecular Formula

C23H30O6S

Molecular Weight

434.55

Accurate Mass

434.18

SMILES

O=C1C=C[C@@]2(C)C(CC[C@]3([H])C2=CC[C@@]4(C)[C@@]3([H])C[C@@H](C)[C@]4(O)C(COS(C)(=O)=O)=O)=C1

InChI

InChI=1S/C23H30O6S/c1-14-11-19-17-6-5-15-12-16(24)7-9-21(15,2)18(17)8-10-22(19,3)23(14,26)20(25)13-29-30(4,27)28/h7-9,12,14,17,19,26H,5-6,10-11,13H2,1-4H3/t14-,17-,19+,21+,22+,23+/m1/s1

IUPAC

2-((8S,10S,13S,14S,16R,17R)-17-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl methanesulfonate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat