(6A,11B)-6,11,17,21-Tetrahydroxy-Pregn-4-Ene-3,20-Dione
[CAS# 2242-98-0]

Identification

• Name: (6A,11B)-6,11,17,21-Tetrahydroxy-Pregn-4-Ene-3,20-Dione
• Synonyms: (6S,8S,9S,10R,11S,13S,14S,17R)-6,11,17-Trihydroxy-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; (6S,8S,9S,10R,11S,13S,14S,17R)-17-Glycoloyl-6,11,17-Trihydroxy-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; (6S,8S,9S,10R,11S,13S,14S,17R)-6,11,17-Trihydroxy-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: C₂₁H₃₀O₆
• Molecular Weight: 378.46
• CAS Registry Number: 2242-98-0
• SMILES: [C@H]24[C@H]1[C@@]([C@](O)(CC1)C(=O)CO)(C[C@H](O)[C@@H]2[C@@]3(C(=CC(=O)CC3)[C@@H](O)C4)C)C
• InChI: 1S/C21H30O6/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/h7,12-13,15-16,18,22,24-25,27H,3-6,8-10H2,1-2H3/t12-,13-,15-,16-,18+,19-,20-,21-/m0/s1
• InChIKey: GNFTWPCIRXSCQF-HVIRSNARSA-N

Properties

• Density: 1.355g/cm³ (Cal.)
• Boiling point: 613.037°C at 760 mmHg (Cal.)
• Flash point: 338.572°C (Cal.)