11alpha,17,21-Trihydroxypregn-4-Ene-3,20-Dione 21-Acetate
[CAS# 1250-97-1]

Identification

• Name: 11alpha,17,21-Trihydroxypregn-4-Ene-3,20-Dione 21-Acetate
• Synonyms: [2-[(8S,9S,10R,11R,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Acetate; Acetic Acid [2-[(8S,9S,10R,11R,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Acetic Acid [2-[(8S,9S,10R,11R,13S,14S,17R)-11,17-Dihydroxy-3-Keto-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₃H₃₂O₆
• Molecular Weight: 404.50
• CAS Registry Number: 1250-97-1
• EINECS: 215-008-1
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@H](O)C[C@@]3([C@](O)(CC4)C(=O)COC(=O)C)C
• InChI: 1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18+,20+,21-,22-,23-/m0/s1
• InChIKey: ALEXXDVDDISNDU-VVCDUNCFSA-N

Properties

• Density: 1.267g/cm³ (Cal.)
• Boiling point: 576.556°C at 760 mmHg (Cal.)
• Flash point: 196.167°C (Cal.)