(16beta,17alpha)-17-Acetyl-16,24-Cyclo-21-Norchol-4-En-3-One
[CAS# 38522-51-9]

Identification

• Name: (16beta,17alpha)-17-Acetyl-16,24-Cyclo-21-Norchol-4-En-3-One
• Synonyms: 16Alpha,17Alpha-Cyclohexanoprogesterone; Pentarane A
• Molecular Formula: C₂₅H₃₆O₂
• Molecular Weight: 368.56
• CAS Registry Number: 38522-51-9
• SMILES: [C@H]13[C@@]([C@]2([C@@H](C1)CCCC2)C(=O)C)(CC[C@H]4[C@H]3CCC5=CC(=O)CC[C@]45C)C
• InChI: 1S/C25H36O2/c1-16(26)25-11-5-4-6-18(25)15-22-20-8-7-17-14-19(27)9-12-23(17,2)21(20)10-13-24(22,25)3/h14,18,20-22H,4-13,15H2,1-3H3/t18-,20-,21+,22+,23+,24+,25+/m1/s1
• InChIKey: QRVBGQLTPQQFJY-IEHCJHDVSA-N

Properties

• Density: 1.099g/cm³ (Cal.)
• Boiling point: 496.405°C at 760 mmHg (Cal.)
• Flash point: 183.701°C (Cal.)