Analyte Name

Cicortonide

CAS Number

19705-61-4

Molecular Formula

C29 H37 Cl F N O7

Molecular Weight

566.058

Accurate Mass

565.224

SMILES

CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]3[C@@H]4CC(=C5C=C(CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]23C)OCCCl)C#N

InChI

InChI=1S/C29H37ClFNO7/c1-16(33)37-15-23(35)29-24(38-25(2,3)39-29)12-20-21-10-17(14-32)19-11-18(36-9-8-30)6-7-26(19,4)28(21,31)22(34)13-27(20,29)5/h11,20-22,24,34H,6-10,12-13,15H2,1-5H3/t20-,21-,22-,24+,26-,27-,28-,29+/m0/s1

IUPAC

[2-[(1S,2S,4R,8S,9S,11S,12R,13S)-16-(2-chloroethoxy)-19-cyano-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-16,18-dien-8-yl]-2-oxoethyl] acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat