11-beta,21-Dihydroxypregna-1,4,17(20)-Trien-3-One
[CAS# 51259-83-7]

Identification

• Name: 11-beta,21-Dihydroxypregna-1,4,17(20)-Trien-3-One
• Synonyms: 11-Beta,21-Dihydroxypregna-1,4,17(20)-Trien-3-One; C15303
• Molecular Formula: C₂₁H₂₈O₃
• Molecular Weight: 328.45
• CAS Registry Number: 51259-83-7
• EINECS: 257-092-2
• SMILES: [C@H]23[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@@H](O)C[C@]\4([C@H]3CCC4=C/CO)C
• InChI: 1S/C21H28O3/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h7-9,11,16-19,22,24H,3-6,10,12H2,1-2H3/b13-8-/t16-,17-,18-,19+,20-,21+/m0/s1
• InChIKey: FIMYJWIQTVIDQB-PKJGFKEFSA-N

Properties

• Density: 1.202g/cm³ (Cal.)
• Boiling point: 511.137°C at 760 mmHg (Cal.)
• Flash point: 277.013°C (Cal.)