5alpha-Pregnan-3beta,11beta,20beta,21-Tetrol
[CAS# 7285-27-0]

Identification

• Name: 5alpha-Pregnan-3beta,11beta,20beta,21-Tetrol
• Synonyms: (3Beta,5Alpha,11Beta,20S)-Pregnane-3,11,20,21-Tetrol; 5Alpha-Pregnane-3Beta,11Beta,20Beta,21-Tetrol
• Molecular Formula: C₂₁H₃₆O₄
• Molecular Weight: 352.51
• CAS Registry Number: 7285-27-0
• SMILES: [C@@H]3(CC[C@H]4[C@@H]2CC[C@H]1C[C@H](CC[C@@]1([C@H]2[C@H](C[C@]34C)O)C)O)[C@@H](CO)O
• InChI: 1S/C21H36O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-19,22-25H,3-11H2,1-2H3/t12-,13-,14-,15-,16+,17-,18+,19+,20-,21-/m0/s1
• InChIKey: AVWPXRTWDBUIQR-QTYNMNAUSA-N

Properties

• Density: 1.18g/cm³ (Cal.)
• Boiling point: 528.807°C at 760 mmHg (Cal.)
• Flash point: 238.019°C (Cal.)