11beta,17alpha-Dihydroxy-4-Pregnene-3,20-Dione
[CAS# 641-77-0]

Identification

• Name: 11beta,17alpha-Dihydroxy-4-Pregnene-3,20-Dione
• Synonyms: (8S,9S,10R,13S,14S,17R)-17-Ethanoyl-11,17-Dihydroxy-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; 21-Deoxycortisol; 4-Pregnene-11Beta,17Alpha-Diol-3,20-Dione
• Molecular Formula: C₂₁H₃₀O₄
• Molecular Weight: 346.47
• CAS Registry Number: 641-77-0
• EINECS: 211-375-7
• SMILES: [C@H]24[C@H]1[C@@]([C@](C(C)=O)(O)CC1)(CC([C@@H]2[C@@]3(C(=CC(=O)CC3)CC4)C)O)C
• InChI: 1S/C21H30O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16-,17?,18+,19-,20-,21-/m0/s1
• InChIKey: LCZBQMKVFQNSJR-AVOSZYNGSA-N

Properties

• Density: 1.22g/cm³ (Cal.)
• Boiling point: 523.896°C at 760 mmHg (Cal.)
• Flash point: 284.721°C (Cal.)