1-[(3S,8S,9S,10R,13R,14S,17S)-3-Methoxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Ethanone
[CAS# 511-26-2]

Identification

• Name: 1-[(3S,8S,9S,10R,13R,14S,17S)-3-Methoxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Ethanone
• Synonyms: Pregnenolone Methyl Ether; L 542856-0; Nsc31617
• Molecular Formula: C₂₂H₃₄O₂
• Molecular Weight: 330.51
• CAS Registry Number: 511-26-2
• SMILES: [C@H]1(C(C)=O)CC[C@@H]2[C@]1(C)CC[C@@H]3[C@]4(C)C(=CC[C@@H]23)C[C@H](CC4)OC
• InChI: 1S/C22H34O2/c1-14(23)18-7-8-19-17-6-5-15-13-16(24-4)9-11-21(15,2)20(17)10-12-22(18,19)3/h5,16-20H,6-13H2,1-4H3/t16-,17-,18+,19-,20-,21-,22+/m0/s1
• InChIKey: ZVGQOQHAMHMMNE-BIBIXIOVSA-N

Properties

• Density: 1.049g/cm³ (Cal.)
• Boiling point: 426.598°C at 760 mmHg (Cal.)
• Flash point: 161.341°C (Cal.)