(3b,15b)-3,15,17-Trihydroxy-Pregn-5-En-20-One
[CAS# 80380-40-1]

Identification

• Name: (3b,15b)-3,15,17-Trihydroxy-Pregn-5-En-20-One
• Synonyms: 3,15,17-Thp-20; 3Beta,15Beta,17Alpha-Trihydroxy-5-Pregnen-20-One; Pregn-5-En-20-One, 3,15,17-Trihydroxy-, (3Beta,15Beta)-
• Molecular Formula: C₂₁H₃₂O₄
• Molecular Weight: 348.48
• CAS Registry Number: 80380-40-1
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](O)CC2)C)CC[C@@]3([C@](O)(C[C@H]4O)C(=O)C)C
• InChI: 1S/C21H32O4/c1-12(22)21(25)11-17(24)18-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(18,21)3/h4,14-18,23-25H,5-11H2,1-3H3/t14-,15+,16-,17+,18+,19-,20-,21-/m0/s1
• InChIKey: VWUZUCWRCBMJNW-YZUCACDQSA-N

Properties

• Density: 1.222g/cm³ (Cal.)
• Boiling point: 518.58°C at 760 mmHg (Cal.)
• Flash point: 281.51°C (Cal.)