12beta-Hydroxypregna-4,6,16-Triene-3,20-Dione
[CAS# 53823-05-5]

Identification

• Name: 12beta-Hydroxypregna-4,6,16-Triene-3,20-Dione
• Synonyms: (8R,9S,10R,12R,13S,14S)-17-Ethanoyl-12-Hydroxy-10,13-Dimethyl-1,2,8,9,11,12,14,15-Octahydrocyclopenta[A]Phenanthren-3-One; Nsc334384; 12-Beta-Hydroxypregna-4,6,16-Triene-3,20-Dione
• Molecular Formula: C₂₁H₂₆O₃
• Molecular Weight: 326.43
• CAS Registry Number: 53823-05-5
• SMILES: [C@]34([C@H]([C@@H]2C=CC1=CC(CC[C@@]1([C@H]2C[C@H]3O)C)=O)CC=C4C(=O)C)C
• InChI: 1S/C21H26O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)18(15)11-19(24)21(16,17)3/h4-6,10,15,17-19,24H,7-9,11H2,1-3H3/t15-,17-,18-,19+,20-,21+/m0/s1
• InChIKey: UYGZZVKOVWATFR-GGLFOPPFSA-N

Properties

• Density: 1.197g/cm³ (Cal.)
• Boiling point: 522.432°C at 760 mmHg (Cal.)
• Flash point: 283.837°C (Cal.)