Pregnanetriol
[CAS# 27178-64-9]

Identification

• Name: Pregnanetriol
• Molecular Formula: C₂₁H₃₆O₃
• Molecular Weight: 336.51
• CAS Registry Number: 27178-64-9
• SMILES: [C@H]1(CC[C@]3([C@@H](C1)CC[C@H]4[C@@H]2CC[C@](C(C)O)([C@@]2(C)CC[C@H]34)O)C)O
• InChI: 1S/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3/t13?,14-,15-,16-,17+,18+,19+,20+,21+/m1/s1
• InChIKey: SCPADBBISMMJAW-HWPIAJDMSA-N

Properties

• Density: 1.123g/cm³ (Cal.)
• Boiling point: 469.9°C at 760 mmHg (Cal.)
• Flash point: 208.194°C (Cal.)