Pregnane-3,6,17,20-Tetrol
[CAS# 10540-12-2]

Identification

• Name: Pregnane-3,6,17,20-Tetrol
• Synonyms: Pregnane-3,6,17,20-Tetrol, (3Alpha,5Beta,6Alpha,20R)-; 5-Beta-Pregnane-3Alpha,6Alpha,17Alpha,20Beta-Tetrol; Pregnane-3,6,17,20-Tetrol
• Molecular Formula: C₂₁H₃₆O₄
• Molecular Weight: 352.51
• CAS Registry Number: 10540-12-2
• SMILES: [C@@H]23CC(C1CC(CC[C@@]1([C@H]2CC[C@]4([C@H]3CC[C@@]4(C(C)O)O)C)C)O)O
• InChI: 1S/C21H36O4/c1-12(22)21(25)9-6-16-14-11-18(24)17-10-13(23)4-7-19(17,2)15(14)5-8-20(16,21)3/h12-18,22-25H,4-11H2,1-3H3/t12?,13?,14-,15+,16+,17?,18?,19-,20+,21+/m1/s1
• InChIKey: SENSDRYGCFGXOG-PHULGAOGSA-N

Properties

• Density: 1.188g/cm³ (Cal.)
• Boiling point: 508.655°C at 760 mmHg (Cal.)
• Flash point: 227.472°C (Cal.)