5-beta-Pregnan-3alpha,11beta,17-Triol-20-One
[CAS# 7252-91-7]

Identification

• Name: 5-beta-Pregnan-3alpha,11beta,17-Triol-20-One
• Synonyms: Nsc53891; C15403; Tetrahydro-21-Deoxycortisol
• Molecular Formula: C₂₁H₃₄O₄
• Molecular Weight: 350.50
• CAS Registry Number: 7252-91-7
• SMILES: [C@]1([C@]2(C)[C@@H](CC1)[C@H]4[C@H]([C@@H](O)C2)[C@]3(CC[C@@H](O)C[C@H]3CC4)C)(O)C(C)=O
• InChI: 1S/C21H34O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h13-18,23-25H,4-11H2,1-3H3/t13-,14-,15+,16+,17+,18-,19+,20+,21+/m1/s1
• InChIKey: VHYUGQIWISVBRT-SUTVCERISA-N

Properties

• Density: 1.189g/cm³ (Cal.)
• Boiling point: 504.564°C at 760 mmHg (Cal.)
• Flash point: 273.042°C (Cal.)