3,15,17-Trihydroxypregnan-20-One
[CAS# 80380-41-2]

Identification

• Name: 3,15,17-Trihydroxypregnan-20-One
• Synonyms: 3,15,17-Th-5P; 3,15,17-Trihydoxy-5Alpha-Pregnan-20-One; 3,15,17-Trihydroxypregnan-20-One
• Molecular Formula: C₂₁H₃₄O₄
• Molecular Weight: 350.50
• CAS Registry Number: 80380-41-2
• SMILES: [C@H]1(CC[C@]3([C@@H](C1)CC[C@H]4[C@@H]2[C@@H](C[C@](C(C)=O)([C@@]2(C)CC[C@H]34)O)O)C)O
• InChI: 1S/C21H34O4/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/h13-18,23-25H,4-11H2,1-3H3/t13-,14-,15-,16+,17-,18-,19+,20+,21+/m1/s1
• InChIKey: AIEUQVDPBZPTSV-VSAGWDKDSA-N

Properties

• Density: 1.189g/cm³ (Cal.)
• Boiling point: 504.564°C at 760 mmHg (Cal.)
• Flash point: 273.042°C (Cal.)