16-alpha,17-Dihydroxy-alpha-methylbenzylidenedioxyprogesterone
[CAS# 1179-87-9]

Identification

• Name: 16-alpha,17-Dihydroxy-alpha-methylbenzylidenedioxyprogesterone
• Synonyms: 16Alpha,17Alpha-Dihydroxyprogesterone Acetophenonide; Nsc 68280; Pregn-4-Ene-3,20-Dione, 16Alpha,17-Dihydroxy-, Cyclic Acetal With Acetophenone (8Ci)
• Molecular Formula: C₂₉H₃₆O₄
• Molecular Weight: 448.60
• CAS Registry Number: 1179-87-9
• EINECS: 214-649-4
• SMILES: [C@@]45([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)CC3)C[C@H]4OC(O5)(C6=CC=CC=C6)C)C)C(C)=O
• InChI: 1S/C29H36O4/c1-18(30)29-25(32-28(4,33-29)19-8-6-5-7-9-19)17-24-22-11-10-20-16-21(31)12-14-26(20,2)23(22)13-15-27(24,29)3/h5-9,16,22-25H,10-15,17H2,1-4H3/t22-,23+,24+,25-,26+,27+,28?,29-/m1/s1
• InChIKey: AHBKIEXBQNRDNL-BXXPAUNWSA-N

Properties

• Density: 1.199g/cm³ (Cal.)
• Boiling point: 579.008°C at 760 mmHg (Cal.)
• Flash point: 246.693°C (Cal.)