14-alpha,17-alpha,21-Trihydroxypregn-4-Ene-3,20-Dione
[CAS# 595-18-6]

Identification

• Name: 14-alpha,17-alpha,21-Trihydroxypregn-4-Ene-3,20-Dione
• Synonyms: (8R,9S,10R,13S,14R,17R)-14,17-Dihydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-1,2,6,7,8,9,11,12,15,16-Decahydrocyclopenta[A]Phenanthren-3-One; (8R,9S,10R,13S,14R,17R)-17-Glycoloyl-14,17-Dihydroxy-10,13-Dimethyl-1,2,6,7,8,9,11,12,15,16-Decahydrocyclopenta[A]Phenanthren-3-One; (8R,9S,10R,13S,14R,17R)-14,17-Dihydroxy-17-(2-Hydroxyethanoyl)-10,13-Dimethyl-1,2,6,7,8,9,11,12,15,16-Decahydrocyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₁H₃₀O₅
• Molecular Weight: 362.47
• CAS Registry Number: 595-18-6
• EINECS: 209-858-2
• SMILES: [C@@]12([C@@]([C@](C(CO)=O)(O)CC1)(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O
• InChI: 1S/C21H30O5/c1-18-7-5-14(23)11-13(18)3-4-16-15(18)6-8-19(2)20(16,25)9-10-21(19,26)17(24)12-22/h11,15-16,22,25-26H,3-10,12H2,1-2H3/t15-,16+,18-,19-,20+,21-/m0/s1
• InChIKey: NBOPGWCQYLBUPH-FHBGEGHHSA-N

Properties

• Density: 1.292g/cm³ (Cal.)
• Boiling point: 559.796°C at 760 mmHg (Cal.)
• Flash point: 306.409°C (Cal.)