1,3,5,6-Tetrahydroxyandrostan-17-one
[CAS# 90134-60-4]

Identification

• Name: 1,3,5,6-Tetrahydroxyandrostan-17-one
• Synonyms: Androstan-17-One, 1,3,5,6-Tetrahydroxy-, (1Beta,3Beta,5Alpha,6Beta)-; 1,3,5,6-Thao; 1,3,5,6-Tetrahydroxyandrostan-17-One
• Molecular Formula: C₁₉H₃₀O₅
• Molecular Weight: 338.44
• CAS Registry Number: 90134-60-4
• SMILES: [C@@]14([C@@]([C@H](O)C[C@@H]2[C@@H]1CC[C@@]3(C(=O)CC[C@@H]23)C)(C[C@H](C[C@H]4O)O)O)C
• InChI: 1S/C19H30O5/c1-17-6-5-13-11(12(17)3-4-14(17)21)8-16(23)19(24)9-10(20)7-15(22)18(13,19)2/h10-13,15-16,20,22-24H,3-9H2,1-2H3/t10-,11-,12-,13-,15+,16+,17-,18-,19-/m0/s1
• InChIKey: ONHQGXIEYFYVDF-MESRZZFMSA-N

Properties

• Density: 1.336g/cm³ (Cal.)
• Boiling point: 512.103°C at 760 mmHg (Cal.)
• Flash point: 277.597°C (Cal.)