21-Desisobutyryl-21-cyclohexanoyl Ciclesonide

Analyte Name

21-Desisobutyryl-21-cyclohexanoyl Ciclesonide

CAS Number

1005416-98-7

Molecular Formula

C35 H48 O7

Molecular Weight

580.751

Accurate Mass

580.34

SMILES

C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]5O[C@H](O[C@@]25C(=O)COC(=O)C6CCCCC6)C7CCCCC7

InChI

InChI=1S/C35H48O7/c1-33-16-15-24(36)17-23(33)13-14-25-26-18-29-35(34(26,2)19-27(37)30(25)33,42-32(41-29)22-11-7-4-8-12-22)28(38)20-40-31(39)21-9-5-3-6-10-21/h15-17,21-22,25-27,29-30,32,37H,3-14,18-20H2,1-2H3/t25-,26-,27-,29+,30+,32+,33-,34-,35+/m0/s1

IUPAC

[2-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-cyclohexyl-11-hydroxy-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] cyclohexanecarboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat