(3b)-17-(Acetyloxy)-3-hydroxy-6-methyl-Pregna-4,6-dien-20-one
[CAS# 2233-58-1]

Identification

• Name: (3b)-17-(Acetyloxy)-3-hydroxy-6-methyl-Pregna-4,6-dien-20-one
• Synonyms: Acetic Acid [(3S,8R,9S,10R,13S,14S,17R)-17-Acetyl-3-Hydroxy-6,10,13-Trimethyl-1,2,3,8,9,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; [(3S,8R,9S,10R,13S,14S,17R)-17-Ethanoyl-3-Hydroxy-6,10,13-Trimethyl-1,2,3,8,9,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ethanoate; (3Beta)-17-(Acetyloxy)-3-Hydroxy-6-Methylpregna-4,6-Dien-20-One
• Molecular Formula: C₂₄H₃₄O₄
• Molecular Weight: 386.53
• CAS Registry Number: 2233-58-1
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=C[C@@H](O)CC1)C(=C2)C)C)CC[C@@]3([C@](OC(=O)C)(CC4)C(=O)C)C
• InChI: 1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,17-20,27H,6-11H2,1-5H3/t17-,18+,19-,20-,22+,23-,24-/m0/s1
• InChIKey: IZIHXOKRBIKNTB-HQSCULOHSA-N

Properties

• Density: 1.156g/cm³ (Cal.)
• Boiling point: 504.913°C at 760 mmHg (Cal.)
• Flash point: 166.503°C (Cal.)