(3b,17b)-Androst-5-ene-3,17-diol 3,17-diacetate
[CAS# 2099-26-5]

Identification

• Name: (3b,17b)-Androst-5-ene-3,17-diol 3,17-diacetate
• Synonyms: [(3S,8R,9S,10R,13S,14S,17S)-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,17S)-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,17S)-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: 2099-26-5
• EINECS: 218-264-2
• SMILES: [C@@]34(C)[C@@H]1[C@H]([C@H]2[C@@](CC1)(C)[C@H](CC2)OC(C)=O)CC=C3C[C@H](CC4)OC(C)=O
• 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-FQJIPJFPSA-N

Properties

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