17,19,21-Trihydroxypregn-4-ene-3,20-dione
[CAS# 510-65-6]

Identification

• Name: 17,19,21-Trihydroxypregn-4-ene-3,20-dione
• Synonyms: (8R,9S,10S,13S,14S,17R)-17-Hydroxy-10-(Hydroxymethyl)-17-(2-Hydroxy-1-Oxoethyl)-13-Methyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; (8R,9S,10S,13S,14S,17R)-17-Glycoloyl-17-Hydroxy-13-Methyl-10-Methylol-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; (8R,9S,10S,13S,14S,17R)-17-Hydroxy-17-(2-Hydroxyethanoyl)-10-(Hydroxymethyl)-13-Methyl-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: 510-65-6
• SMILES: [C@]14([C@@](C(=O)CO)(CC[C@H]1[C@@H]3CCC2=CC(CC[C@@]2([C@H]3CC4)CO)=O)O)C
• InChI: 1S/C21H30O5/c1-19-7-5-17-15(16(19)6-9-21(19,26)18(25)11-22)3-2-13-10-14(24)4-8-20(13,17)12-23/h10,15-17,22-23,26H,2-9,11-12H2,1H3/t15-,16-,17-,19-,20+,21-/m0/s1
• InChIKey: JEHPZILSNSOOQZ-IZTFOULLSA-N