11-alpha,17-alpha,21-Trihydroxypregn-4-Ene-3,20-Dione
[CAS# 60103-17-5]

Identification

• Name: 11-alpha,17-alpha,21-Trihydroxypregn-4-Ene-3,20-Dione
• Synonyms: (8S,9S,10R,13S,14S,17R)-11,17-Dihydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; (8S,9S,10R,13S,14S,17R)-17-Glycoloyl-11,17-Dihydroxy-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; (8S,9S,10R,13S,14S,17R)-11,17-Dihydroxy-17-(2-Hydroxyethanoyl)-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₁H₃₀O₅
• Molecular Weight: 362.47
• CAS Registry Number: 60103-17-5
• EINECS: 262-053-8
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=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/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16?,18+,19-,20-,21-/m0/s1
• InChIKey: JYGXADMDTFJGBT-KZUKIWJVSA-N

Properties

• Density: 1.288g/cm³ (Cal.)
• Boiling point: 566.45°C at 760 mmHg (Cal.)
• Flash point: 310.428°C (Cal.)