3alpha,21-Dihydroxy-5alpha-Pregnane-11,20-Dione 21-Acetate
[CAS# 23930-37-2]

Identification

• Name: 3alpha,21-Dihydroxy-5alpha-Pregnane-11,20-Dione 21-Acetate
• Synonyms: [2-(3-Hydroxy-10,13-Dimethyl-11-Oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl)-2-Oxo-Ethyl] Acetate; Acetic Acid [2-(3-Hydroxy-10,13-Dimethyl-11-Oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl)-2-Oxoethyl] Ester; Acetic Acid [2-(3-Hydroxy-11-Keto-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl)-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₃H₃₄O₅
• Molecular Weight: 390.52
• CAS Registry Number: 23930-37-2
• EINECS: 245-942-5
• SMILES: C(C(C4C3(C(C2C(C1(C(CC(O)CC1)CC2)C)C(C3)=O)CC4)C)=O)OC(C)=O
• InChI: 1S/C23H34O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h14-18,21,25H,4-12H2,1-3H3
• InChIKey: QRJOQYLXZPQQMX-UHFFFAOYSA-N

Properties

• Density: 1.164g/cm³ (Cal.)
• Boiling point: 523.616°C at 760 mmHg (Cal.)
• Flash point: 175.06°C (Cal.)