17-alpha,21-Dihydroxy-5-beta-Pregnane-3,11,20-Trione 21-Acetate
[CAS# 1499-59-8]

Identification

• Name: 17-alpha,21-Dihydroxy-5-beta-Pregnane-3,11,20-Trione 21-Acetate
• Synonyms: [2-[(5R,8S,9S,10S,13S,14S,17R)-17-Hydroxy-10,13-Dimethyl-3,11-Dioxo-1,2,4,5,6,7,8,9,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Acetate; Acetic Acid [2-[(5R,8S,9S,10S,13S,14S,17R)-17-Hydroxy-10,13-Dimethyl-3,11-Dioxo-1,2,4,5,6,7,8,9,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Acetic Acid [2-[(5R,8S,9S,10S,13S,14S,17R)-17-Hydroxy-3,11-Diketo-10,13-Dimethyl-1,2,4,5,6,7,8,9,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₃H₃₂O₆
• Molecular Weight: 404.50
• CAS Registry Number: 1499-59-8
• EINECS: 216-111-4
• SMILES: [C@]34([C@H]([C@H]2[C@@H]([C@@]1([C@@H](CC(=O)CC1)CC2)C)C(C3)=O)CC[C@@]4(C(COC(C)=O)=O)O)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/h14,16-17,20,28H,4-12H2,1-3H3/t14-,16+,17+,20-,21+,22+,23+/m1/s1
• InChIKey: AZCNJEFLSOQGST-LPEMZKRWSA-N

Properties

• Density: 1.225g/cm³ (Cal.)
• Boiling point: 556.057°C at 760 mmHg (Cal.)
• Flash point: 187.949°C (Cal.)