17,21-Dihydroxypregna-1,4-Diene-3,20-Dione 17-Acetate
[CAS# 49751-53-3]

Identification

• Name: 17,21-Dihydroxypregna-1,4-Diene-3,20-Dione 17-Acetate
• Synonyms: Acetic Acid [(8R,9S,10R,13S,14S,17R)-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(8R,9S,10R,13S,14S,17R)-17-Glycoloyl-3-Keto-10,13-Dimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl] Ester; [(8R,9S,10R,13S,14S,17R)-17-(2-Hydroxyethanoyl)-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl] Ethanoate
• Molecular Formula: C₂₃H₃₀O₅
• Molecular Weight: 386.49
• CAS Registry Number: 49751-53-3
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)CC[C@@]3([C@](OC(=O)C)(CC4)C(=O)CO)C
• InChI: 1S/C23H30O5/c1-14(25)28-23(20(27)13-24)11-8-19-17-5-4-15-12-16(26)6-9-21(15,2)18(17)7-10-22(19,23)3/h6,9,12,17-19,24H,4-5,7-8,10-11,13H2,1-3H3/t17-,18+,19+,21+,22+,23+/m1/s1
• InChIKey: JCDKTUWPLLQJBD-JZTHCNPZSA-N

Properties

• Density: 1.228g/cm³ (Cal.)
• Boiling point: 530.791°C at 760 mmHg (Cal.)
• Flash point: 179.813°C (Cal.)