5-Androstene-3 beta,17 beta-Diol Sulfate
[CAS# 60825-60-7]

Identification

• Name: 5-Androstene-3 beta,17 beta-Diol Sulfate
• Synonyms: 5-Androstene-3Beta,17Beta-Diol Sulfate; Androst-5-Ene-3,17-Diol, Hydrogen Sulfate, (3Beta,17Beta)-
• Molecular Formula: C₁₉H₃₂O₆S
• Molecular Weight: 388.52
• CAS Registry Number: 60825-60-7
• SMILES: [C@H]13[C@@H]([C@@]2(C(=CC1)C[C@@H](O)CC2)C)CC[C@]4([C@H]3CC[C@@H]4O)C.O=[S](=O)(O)O
• InChI: 1S/C19H30O2.H2O4S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18;1-5(2,3)4/h3,13-17,20-21H,4-11H2,1-2H3;(H2,1,2,3,4)/t13-,14-,15-,16-,17-,18-,19-;/m0./s1
• InChIKey: AASRKRDICOOIBN-NKPAQCGESA-N

Properties

• Boiling point: 428.4°C at 760 mmHg (Cal.)
• Flash point: 194.5°C (Cal.)