2-Hydroxy-1-[(3R,5S,8S,9S,10S,11S,13S,14S,17R)-3,11,17-Trihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl]Ethanone
[CAS# 302-91-0]

Identification

• Name: 2-Hydroxy-1-[(3R,5S,8S,9S,10S,11S,13S,14S,17R)-3,11,17-Trihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl]Ethanone
• Synonyms: .Alpha.-Thf; 3.Alpha.,5.Alpha.-Tetrahydrocortisol; 5.Alpha.-Pregnan-20-One, 3.Alpha.,11.Beta.,17,21-Tetrahydroxy-
• Molecular Formula: C₂₁H₃₄O₅
• Molecular Weight: 366.50
• CAS Registry Number: 302-91-0
• EINECS: 206-131-1
• SMILES: [C@@]14(C)[C@H]([C@H]2[C@H]([C@H](C1)O)[C@]3(C)[C@@H](CC2)C[C@@H](CC3)O)CC[C@@]4(C(CO)=O)O
• 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-/m0/s1
• InChIKey: AODPIQQILQLWGS-FDSHTENPSA-N

Properties

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