21-Acetoxypregnenolone
[CAS# 566-78-9]

Identification

• Name: 21-Acetoxypregnenolone
• Synonyms: [2-[(3S,8S,9S,10R,13S,14S,17S)-3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Acetate; Acetic Acid [2-[(3S,8S,9S,10R,13S,14S,17S)-3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Acetic Acid [2-[(3S,8S,9S,10R,13S,14S,17S)-3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₃H₃₄O₄
• Molecular Weight: 374.52
• CAS Registry Number: 566-78-9
• EINECS: 209-298-9
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](O)CC2)C)CC[C@@]3([C@@H](C(COC(C)=O)=O)CC4)C
• InChI: 1S/C23H34O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h4,16-20,25H,5-13H2,1-3H3/t16-,17-,18-,19-,20+,22-,23-/m0/s1
• InChIKey: MDJRZSNPHZEMJH-MTMZYOSNSA-N

Properties

• Density: 1.151g/cm³ (Cal.)
• Boiling point: 500.175°C at 760 mmHg (Cal.)
• Flash point: 166.573°C (Cal.)