(6B)-6,17,21-Trihydroxy-Pregn-4-Ene-3,11,20-Trione
[CAS# 16355-28-5]

Identification

• Name: (6B)-6,17,21-Trihydroxy-Pregn-4-Ene-3,11,20-Trione
• Synonyms: 6,17-Dihydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-1,2,6,7,8,9,12,14,15,16-Decahydrocyclopenta[A]Phenanthrene-3,11-Dione; 17-Glycoloyl-6,17-Dihydroxy-10,13-Dimethyl-1,2,6,7,8,9,12,14,15,16-Decahydrocyclopenta[A]Phenanthrene-3,11-Quinone; 6,17-Dihydroxy-17-(2-Hydroxyethanoyl)-10,13-Dimethyl-1,2,6,7,8,9,12,14,15,16-Decahydrocyclopenta[A]Phenanthrene-3,11-Dione
• Molecular Formula: C₂₁H₂₈O₆
• Molecular Weight: 376.45
• CAS Registry Number: 16355-28-5
• SMILES: C(C(C4(C3(C(C2C(C1(C(=CC(=O)CC1)C(C2)O)C)C(=O)C3)CC4)C)O)=O)O
• InChI: 1S/C21H28O6/c1-19-5-3-11(23)7-14(19)15(24)8-12-13-4-6-21(27,17(26)10-22)20(13,2)9-16(25)18(12)19/h7,12-13,15,18,22,24,27H,3-6,8-10H2,1-2H3
• InChIKey: BCHHPSBWEQCAPG-UHFFFAOYSA-N

Properties

• Density: 1.353g/cm³ (Cal.)
• Boiling point: 615.09°C at 760 mmHg (Cal.)
• Flash point: 339.813°C (Cal.)