11-beta,17-alpha,21-Trihydroxy-5-beta-Pregnane-3,20-Dione
[CAS# 1482-50-4]

Identification

• Name: 11-beta,17-alpha,21-Trihydroxy-5-beta-Pregnane-3,20-Dione
• Synonyms: (5R,8S,9S,10S,11S,13S,14S,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; (5R,8S,9S,10S,11S,13S,14S,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; (5R,8S,9S,10S,11S,13S,14S,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: 1482-50-4
• SMILES: [C@@]14(C)[C@H]([C@H]2[C@H]([C@H](C1)O)[C@]3(C)[C@H](CC2)CC(CC3)=O)CC[C@@]4(C(CO)=O)O
• 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+/m1/s1
• InChIKey: ACSFOIGNUQUIGE-AIPUTVCKSA-N

Properties

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