(3beta,16alpha,20S)-Pregn-5-Ene-3,16,20-Triol
[CAS# 3885-13-0]

Identification

• Name: (3beta,16alpha,20S)-Pregn-5-Ene-3,16,20-Triol
• Synonyms: 5-PREGNEN-3-β,16-α,20-α-TRIOL
• Molecular Formula: C₂₁H₃₄O₃
• Molecular Weight: 334.49
• CAS Registry Number: 3885-13-0
• SMILES: C[C@@H]([C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)O
• InChI: 1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h4,12,14-19,22-24H,5-11H2,1-3H3/t12-,14-,15+,16-,17-,18+,19-,20-,21-/m0/s1
• InChIKey: BBYKCTWGEWBSOL-CNJDONEHSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 487.0±35.0°C at 760 mmHg (Cal.)
• Flash point: 218.4±20.5°C (Cal.)