Analyte Name

Icomethasone 21-(Furan-d3)-2-carboxylate

Molecular Formula

C27 D3 H28 Cl O7

Molecular Weight

506.002

Accurate Mass

505.195

SMILES

[2H]c1oc(C(=O)OCC(=O)[C@@]2(O)[C@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](O)C[C@]23C)c([2H])c1[2H]

InChI

InChI=1S/C27H31ClO7/c1-15-11-19-18-7-6-16-12-17(29)8-9-24(16,2)26(18,28)21(30)13-25(19,3)27(15,33)22(31)14-35-23(32)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,30,33H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,24+,25+,26+,27+/m1/s1/i4D,5D,10D

IUPAC

[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 3,4,5-trideuteriofuran-2-carboxylate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat