5-beta-Dihydrocortisone
[CAS# 68-54-2]

Identification

• Name: 5-beta-Dihydrocortisone
• Synonyms: (5R,8S,9S,10S,13S,14S,17R)-17-Hydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-1,2,4,5,6,7,8,9,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthrene-3,11-Dione; (5R,8S,9S,10S,13S,14S,17R)-17-Glycoloyl-17-Hydroxy-10,13-Dimethyl-1,2,4,5,6,7,8,9,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthrene-3,11-Quinone; (5R,8S,9S,10S,13S,14S,17R)-17-Hydroxy-17-(2-Hydroxyethanoyl)-10,13-Dimethyl-1,2,4,5,6,7,8,9,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthrene-3,11-Dione
• Molecular Formula: C₂₁H₃₀O₅
• Molecular Weight: 362.47
• CAS Registry Number: 68-54-2
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1([C@@H](CC(=O)CC1)CC2)C)C(=O)C[C@@]3([C@](C(CO)=O)(O)CC4)C
• InChI: 1S/C21H30O5/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/h12,14-15,18,22,26H,3-11H2,1-2H3/t12-,14+,15+,18-,19+,20+,21+/m1/s1
• InChIKey: YCLWEYIBFOLMEM-FNLRALKVSA-N

Properties

• Density: 1.244g/cm³ (Cal.)
• Boiling point: 543.875°C at 760 mmHg (Cal.)
• Flash point: 296.791°C (Cal.)