11-beta,17-alpha,21-Trihydroxy-5-alpha-Pregnane-3,20-Dione
[CAS# 516-41-6]

Identification

• Name: 11-beta,17-alpha,21-Trihydroxy-5-alpha-Pregnane-3,20-Dione
• Synonyms: (17R)-11,17-Dihydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-One; (17R)-17-Glycoloyl-11,17-Dihydroxy-10,13-Dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-One; (17R)-11,17-Dihydroxy-17-(2-Hydroxyethanoyl)-10,13-Dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₁H₃₂O₅
• Molecular Weight: 364.48
• CAS Registry Number: 516-41-6
• SMILES: [C@@]4(O)(C3(C(C1C(C2(C(CC1)CC(=O)CC2)C)C(O)C3)CC4)C)C(=O)CO
• InChI: 1S/C21H32O5/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/h12,14-16,18,22,24,26H,3-11H2,1-2H3/t12?,14?,15?,16?,18?,19?,20?,21-/m0/s1
• InChIKey: ACSFOIGNUQUIGE-JYJHGPBPSA-N

Properties

• Density: 1.249g/cm³ (Cal.)
• Boiling point: 544.468°C at 760 mmHg (Cal.)
• Flash point: 297.149°C (Cal.)