Androst-5-Ene-3-beta,17-alpha-Diol Di(Acetate)
[CAS# 53991-48-3]

Identification

• Name: Androst-5-Ene-3-beta,17-alpha-Diol Di(Acetate)
• Synonyms: [(3S,8R,9S,10R,13S,14S,17R)-3-Acetoxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Acetate; Acetic Acid [(3S,8R,9S,10R,13S,14S,17R)-3-Acetoxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; [(3S,8R,9S,10R,13S,14S,17R)-3-Acetyloxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ethanoate
• Molecular Formula: C₂₃H₃₄O₄
• Molecular Weight: 374.52
• CAS Registry Number: 53991-48-3
• EINECS: 258-906-9
• SMILES: [C@H]23[C@H]1[C@@]([C@H](OC(=O)C)CC1)(CC[C@@H]2[C@@]4(C(=CC3)C[C@@H](OC(=O)C)CC4)C)C
• InChI: 1S/C23H34O4/c1-14(24)26-17-9-11-22(3)16(13-17)5-6-18-19-7-8-21(27-15(2)25)23(19,4)12-10-20(18)22/h5,17-21H,6-13H2,1-4H3/t17-,18-,19-,20-,21+,22-,23-/m0/s1
• InChIKey: QXKRUGDXPWHXHL-MHYDGWTMSA-N

Properties

• Density: 1.121g/cm³ (Cal.)
• Boiling point: 448.947°C at 760 mmHg (Cal.)
• Flash point: 215.065°C (Cal.)