(6alpha,11beta,16alpha)-6,9-Difluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl salicylate
[CAS# 68497-94-9]

Identification

• Name: (6alpha,11beta,16alpha)-6,9-Difluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl salicylate
• Synonyms: 6α,9-difluoro-11β,17,21-trihydroxy-16α-methylpregna-1,4-diene-3,20-dione 21-salicylate
• Molecular Formula: C₂₉H₃₂F₂O₇
• Molecular Weight: 530.56
• CAS Registry Number: 68497-94-9
• EINECS: 270-923-3
• SMILES: Oc1ccccc1C(=O)OCC(=O)[C@@]5(O)[C@H](C)C[C@H]4[C@@H]3C[C@H](F)C2=CC(=O)C=C[C@]2(C)[C@@]3(F)[C@@H](O)C[C@@]45C
• InChI: 1S/C29H32F2O7/c1-15-10-18-19-12-21(30)20-11-16(32)8-9-26(20,2)28(19,31)23(34)13-27(18,3)29(15,37)24(35)14-38-25(36)17-6-4-5-7-22(17)33/h4-9,11,15,18-19,21,23,33-34,37H,10,12-14H2,1-3H3/t15-,18+,19+,21+,23+,26+,27+,28+,29+/m1/s1
• InChIKey: RXAYXSKXOCODSP-YKQZNMERSA-N

Properties

• Density: 1.401g/cm³ (Cal.)
• Boiling point: 681.201°C at 760 mmHg (Cal.)
• Flash point: 365.777°C (Cal.)