3alpha-Hydroxy-5beta-Pregn-16-Ene-11,20-Dione 3-Acetate
[CAS# 4970-39-2]

Identification

• Name: 3alpha-Hydroxy-5beta-Pregn-16-Ene-11,20-Dione 3-Acetate
• Synonyms: Acetic Acid [(3R,5R,8S,9S,10S,13S,14S)-17-Acetyl-10,13-Dimethyl-11-Oxo-1,2,3,4,5,6,7,8,9,12,14,15-Dodecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; Acetic Acid [(3R,5R,8S,9S,10S,13S,14S)-17-Acetyl-11-Keto-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,12,14,15-Dodecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; [(3R,5R,8S,9S,10S,13S,14S)-17-Ethanoyl-10,13-Dimethyl-11-Oxo-1,2,3,4,5,6,7,8,9,12,14,15-Dodecahydrocyclopenta[A]Phenanthren-3-Yl] Ethanoate
• Molecular Formula: C₂₃H₃₂O₄
• Molecular Weight: 372.50
• CAS Registry Number: 4970-39-2
• EINECS: 225-611-1
• SMILES: [C@@]34(C)[C@H]([C@@H]2CC[C@@H]1C[C@H](OC(=O)C)CC[C@@]1([C@H]2C(C3)=O)C)CC=C4C(C)=O
• InChI: 1S/C23H32O4/c1-13(24)18-7-8-19-17-6-5-15-11-16(27-14(2)25)9-10-22(15,3)21(17)20(26)12-23(18,19)4/h7,15-17,19,21H,5-6,8-12H2,1-4H3/t15-,16-,17+,19+,21-,22+,23-/m1/s1
• InChIKey: JAZBMNIJZWDVQJ-VEWLMHDZSA-N

Properties

• Density: 1.147g/cm³ (Cal.)
• Boiling point: 490.513°C at 760 mmHg (Cal.)
• Flash point: 211.72°C (Cal.)