7,14-Dihydroxypregn-4-Ene-3,20-Dione
[CAS# 640-30-2]

Identification

• Name: 7,14-Dihydroxypregn-4-Ene-3,20-Dione
• Synonyms: (8S,9S,10R,13R,17S)-17-Ethanoyl-7,14-Dihydroxy-10,13-Dimethyl-2,6,7,8,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; Dped; Pregn-4-Ene-3,20-Dione, 7,14-Dihydroxy-, (7Alpha)-
• Molecular Formula: C₂₁H₃₀O₄
• Molecular Weight: 346.47
• CAS Registry Number: 640-30-2
• SMILES: [C@H]24C1(O)[C@@]([C@H](CC1)C(=O)C)(CC[C@@H]2[C@@]3(C(=CC(=O)CC3)CC4O)C)C
• InChI: 1S/C21H30O4/c1-12(22)15-6-9-21(25)18-16(5-8-20(15,21)3)19(2)7-4-14(23)10-13(19)11-17(18)24/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16+,17?,18+,19+,20-,21?/m1/s1
• InChIKey: NEVVHGHXJACRQZ-YLNYIHQKSA-N

Properties

• Density: 1.22g/cm³ (Cal.)
• Boiling point: 523.875°C at 760 mmHg (Cal.)
• Flash point: 284.709°C (Cal.)