(3beta)-Pregn-1-Ene-3,17,20-Triol
[CAS# 2204-13-9]

Identification

• Name: (3beta)-Pregn-1-Ene-3,17,20-Triol
• Synonyms: pregnene-3β,17α,20α-triol
• Molecular Formula: C₂₁H₃₄O₃
• Molecular Weight: 334.49
• CAS Registry Number: 2204-13-9
• SMILES: CC([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(C=C[C@@H](C4)O)C)C)O)O
• InChI: 1S/C21H34O3/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/h6,9,13-18,22-24H,4-5,7-8,10-12H2,1-3H3/t13?,14?,15-,16+,17-,18-,19-,20-,21-/m0/s1
• InChIKey: LYSXNEPCBZDHLZ-GUERJWNQSA-N

Properties

• Density: 1.142g/cm³ (Cal.)
• Boiling point: 472.835°C at 760 mmHg (Cal.)
• Flash point: 210.8°C (Cal.)
• Refractive index: 1.563 (Cal.)