(6a,16b,17a)-17-Acetyl-6-methyl-16,24-Cyclo-21-norchol-4-en-3-one
[CAS# 58212-84-3]

Identification

• Name: (6a,16b,17a)-17-Acetyl-6-methyl-16,24-Cyclo-21-norchol-4-en-3-one
• Synonyms: 6Alpha-Methyl,16Alpha,17Alpha-Cyclohexanoprogesterone; Pentarane B
• Molecular Formula: C₂₆H₃₈O₂
• Molecular Weight: 382.59
• CAS Registry Number: 58212-84-3
• SMILES: [C@H]13[C@@]([C@]2([C@@H](C1)CCCC2)C(=O)C)(CC[C@H]4[C@H]3C[C@@H](C5=CC(=O)CC[C@]45C)C)C
• InChI: 1S/C26H38O2/c1-16-13-20-21(24(3)11-8-19(28)15-22(16)24)9-12-25(4)23(20)14-18-7-5-6-10-26(18,25)17(2)27/h15-16,18,20-21,23H,5-14H2,1-4H3/t16-,18+,20+,21-,23-,24+,25-,26-/m0/s1
• InChIKey: OAICPORQJIVREU-SGCXAXHESA-N

Properties

• Density: 1.087g/cm³ (Cal.)
• Boiling point: 502.697°C at 760 mmHg (Cal.)
• Flash point: 185.836°C (Cal.)