6b,21-Dihydroxypregn-4-ene-3,20-dione
[CAS# 298-65-7]

Identification

• Name: 6b,21-Dihydroxypregn-4-ene-3,20-dione
• Synonyms: (6R,8S,9S,10R,13S,14S,17S)-6-Hydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; (6R,8S,9S,10R,13S,14S,17S)-17-Glycoloyl-6-Hydroxy-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; (6R,8S,9S,10R,13S,14S,17S)-6-Hydroxy-17-(2-Hydroxyethanoyl)-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₁H₃₀O₄
• Molecular Weight: 346.47
• CAS Registry Number: 298-65-7
• SMILES: [C@H]24[C@H]1[C@@]([C@H](CC1)C(=O)CO)(CC[C@@H]2[C@@]3(C(=CC(=O)CC3)[C@H](O)C4)C)C
• InChI: 1S/C21H30O4/c1-20-8-6-15-13(14(20)3-4-16(20)19(25)11-22)10-18(24)17-9-12(23)5-7-21(15,17)2/h9,13-16,18,22,24H,3-8,10-11H2,1-2H3/t13-,14-,15-,16+,18+,20-,21+/m0/s1
• InChIKey: NCYJPPVFCXZXCE-QCVZGKPXSA-N

Properties

• Density: 1.219g/cm³ (Cal.)
• Boiling point: 532.76°C at 760 mmHg (Cal.)
• Flash point: 290.076°C (Cal.)