17,20alpha,21-Trihydroxypregna-1,4-Diene-3,11-Dione 20-Acetate
[CAS# 4003-79-6]

Identification

• Name: 17,20alpha,21-Trihydroxypregna-1,4-Diene-3,11-Dione 20-Acetate
• Molecular Formula: C₂₈H₃₆O₆
• Molecular Weight: 468.59
• CAS Registry Number: 4003-79-6
• EINECS: 223-651-4
• SMILES: [C@H]34[C@@]([C@]1(OC2(OC[C@@H]1OC(=O)C)CCCC2)CC3)(CC(=O)[C@H]5[C@H]4CCC6=CC(=O)C=C[C@]56C)C
• InChI: 1S/C28H36O6/c1-17(29)33-23-16-32-27(10-4-5-11-27)34-28(23)13-9-21-20-7-6-18-14-19(30)8-12-25(18,2)24(20)22(31)15-26(21,28)3/h8,12,14,20-21,23-24H,4-7,9-11,13,15-16H2,1-3H3/t20-,21-,23-,24+,25-,26-,28-/m0/s1
• InChIKey: HYOHVBICKLCUDV-QPYVESRESA-N

Properties

• Density: 1.255g/cm³ (Cal.)
• Boiling point: 617.004°C at 760 mmHg (Cal.)
• Flash point: 262.998°C (Cal.)