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Product Overview

Product Code

TRC-I164120

Product Format

Neat

Molecular Formula

C27H31ClO7

Molecular Weight

502.98

Product Categories

TRC

Documentation

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Product Information

Chemical Data

Analyte Name

Icomethasone 21-Furan-2-carboxylate

Molecular Formula

C27H31ClO7

Molecular Weight

502.98

Accurate Mass

502.18

SMILES

O[C@H]1C[C@@]([C@](C(COC(C2=CC=CO2)=O)=O)(O)[C@H](C)C3)(C)[C@]3([H])[C@]4([H])CCC5=CC(C=C[C@]5(C)[C@]41Cl)=O

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

IUPAC

2-((8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl furan-2-carboxylate

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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