Analyte Name

21-Chloro-17a-[(2-furanylcarbonxyl)oxy]-9beta,11beta-oxido-16a-methylpregna-1,4-diene-3,20-dione

CAS Number

83881-09-8

Molecular Formula

C27 H29 Cl O6

Molecular Weight

484.97

Accurate Mass

484.1653

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)C(=O)CCl

InChI

InChI=1S/C27H29ClO6/c1-15-11-19-18-7-6-16-12-17(29)8-9-24(16,2)27(18)22(33-27)13-25(19,3)26(15,21(30)14-28)34-23(31)20-5-4-10-32-20/h4-5,8-10,12,15,18-19,22H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,22+,24+,25+,26+,27-/m1/s1

IUPAC

[(1S,2S,10S,11S,13R,14R,15S,17S)-14-(2-chloroacetyl)-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  

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Tariff Code

29372200