3alpha,17,21-Trihydroxy-5beta-Pregnane-11,20-Dione 21-Acetate
[CAS# 17736-20-8]

Identification

• Name: 3alpha,17,21-Trihydroxy-5beta-Pregnane-11,20-Dione 21-Acetate
• Synonyms: [2-[(3R,5R,8S,9S,10S,13S,14S,17R)-3,17-Dihydroxy-10,13-Dimethyl-11-Oxo-2,3,4,5,6,7,8,9,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Acetate; Acetic Acid [2-[(3R,5R,8S,9S,10S,13S,14S,17R)-3,17-Dihydroxy-10,13-Dimethyl-11-Oxo-2,3,4,5,6,7,8,9,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Acetic Acid [2-[(3R,5R,8S,9S,10S,13S,14S,17R)-3,17-Dihydroxy-11-Keto-10,13-Dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₃H₃₄O₆
• Molecular Weight: 406.52
• CAS Registry Number: 17736-20-8
• EINECS: 241-728-0
• SMILES: [C@@]14(C)[C@H]([C@H]2[C@H](C(C1)=O)[C@]3(C)[C@H](CC2)C[C@@H](CC3)O)CC[C@@]4(C(COC(C)=O)=O)O
• InChI: 1S/C23H34O6/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/h14-17,20,25,28H,4-12H2,1-3H3/t14-,15-,16+,17+,20-,21+,22+,23+/m1/s1
• InChIKey: MULICLCRGFYQJF-LLTWYMBTSA-N

Properties

• Density: 1.229g/cm³ (Cal.)
• Boiling point: 557.02°C at 760 mmHg (Cal.)
• Flash point: 187.446°C (Cal.)