Tetrahydrocortisol
[CAS# 53-02-1]

Identification

• Name: Tetrahydrocortisol
• Synonyms: 3Alpha,5Beta-Tetrahydrocortisol; 5-Beta-Pregnan-20-One, 3-Alpha,11-Beta,17,21-Tetrahydroxy-; 5-Beta-Tetrahydrocortisol
• Molecular Formula: C₂₁H₃₄O₅
• Molecular Weight: 366.50
• CAS Registry Number: 53-02-1
• EINECS: 200-159-8
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1([C@@H](C[C@H](O)CC1)CC2)C)[C@@H](O)C[C@@]3([C@](C(CO)=O)(O)CC4)C
• InChI: 1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18-,19+,20+,21+/m1/s1
• InChIKey: AODPIQQILQLWGS-GXBDJPPSSA-N

Properties

• Density: 1.254g/cm³ (Cal.)
• Boiling point: 545.14°C at 760 mmHg (Cal.)
• Flash point: 297.555°C (Cal.)