(9beta,11beta,16alpha,17alphalpha)-17-(2,2-Dioxido-5H-1,2-oxathiol-4-yl)-9,11-epoxy-17-[(2-furanylcarbonyl)oxy]-16-methyl-androsta-1,4-dien-3-one

Analyte Name

(9beta,11beta,16alpha,17alphalpha)-17-(2,2-Dioxido-5H-1,2-oxathiol-4-yl)-9,11-epoxy-17-[(2-furanylcarbonyl)oxy]-16-methyl-androsta-1,4-dien-3-one

CAS Number

223776-50-9

Molecular Formula

C28 H30 O8 S

Molecular Weight

526.598

Accurate Mass

526.166

SMILES

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(OC(=O)c6occc6)C7=CS(=O)(=O)OC7

InChI

InChI=1S/C28H30O8S/c1-16-11-21-20-7-6-17-12-19(29)8-9-25(17,2)28(20)23(35-28)13-26(21,3)27(16,18-14-34-37(31,32)15-18)36-24(30)22-5-4-10-33-22/h4-5,8-10,12,15-16,20-21,23H,6-7,11,13-14H2,1-3H3/t16-,20+,21+,23+,25+,26+,27+,28-/m1/s1

IUPAC

[(1S,2S,10S,11S,13R,14R,15S,17S)-14-(2,2-dioxo-5H-oxathiol-4-yl)-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl] furan-2-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat