(16beta)-17-Hydroxy-16-Methyl-3,20-Dioxopregna-4,9(11)-Dien-21-Yl Benzoate
[CAS# 39780-54-6]

Identification

• Name: (16beta)-17-Hydroxy-16-Methyl-3,20-Dioxopregna-4,9(11)-Dien-21-Yl Benzoate
• Synonyms: 17,21-dihydroxy-16β-methylpregna-4,9(11)-diene-3,20-dione 21-benzoate
• Molecular Formula: C₂₉H₃₄O₅
• Molecular Weight: 462.58
• CAS Registry Number: 39780-54-6
• EINECS: 254-629-2
• SMILES: O=C(OCC(=O)[C@@]3(O)[C@@H](C)C[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)C4=CC[C@@]23C)c5ccccc5
• InChI: 1S/C29H34O5/c1-18-15-24-22-10-9-20-16-21(30)11-13-27(20,2)23(22)12-14-28(24,3)29(18,33)25(31)17-34-26(32)19-7-5-4-6-8-19/h4-8,12,16,18,22,24,33H,9-11,13-15,17H2,1-3H3/t18-,22+,24-,27-,28-,29-/m0/s1
• InChIKey: KYCCZIHTLYZNFV-SCKJBXJSSA-N

Properties

• Density: 1.24g/cm³ (Cal.)
• Boiling point: 640.231°C at 760 mmHg (Cal.)
• Flash point: 210.949°C (Cal.)