Allopregnan-3beta,20alpha-Diol Diacetate
[CAS# 6170-08-7]

Identification

• Name: Allopregnan-3beta,20alpha-Diol Diacetate
• Synonyms: [(1S)-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-Acetoxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Ethyl] Acetate; Acetic Acid [(1S)-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-Acetoxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Ethyl] Ester; [(1S)-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-Acetyloxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Ethyl] Ethanoate
• Molecular Formula: C₂₅H₄₀O₄
• Molecular Weight: 404.59
• CAS Registry Number: 6170-08-7
• EINECS: 228-214-1
• SMILES: [C@H](OC(=O)C)(C)[C@@H]4[C@@]3([C@H]([C@H]2[C@@H]([C@@]1([C@H](C[C@@H](OC(=O)C)CC1)CC2)C)CC3)CC4)C
• InChI: 1S/C25H40O4/c1-15(28-16(2)26)21-8-9-22-20-7-6-18-14-19(29-17(3)27)10-12-24(18,4)23(20)11-13-25(21,22)5/h15,18-23H,6-14H2,1-5H3/t15-,18-,19-,20-,21+,22-,23-,24-,25+/m0/s1
• InChIKey: VDZDKQBSTYNFGG-CVDNUPSHSA-N

Properties

• Density: 1.081g/cm³ (Cal.)
• Boiling point: 461.807°C at 760 mmHg (Cal.)
• Flash point: 218.473°C (Cal.)