17,21-Dihydroxypregn-4-Ene-3,20-Dione 17,21-Di(Acetate)
[CAS# 1807-15-4]

Identification

• Name: 17,21-Dihydroxypregn-4-Ene-3,20-Dione 17,21-Di(Acetate)
• Synonyms: [(8R,9S,10R,13S,14S,17R)-17-(2-Acetoxyacetyl)-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Acetate; Acetic Acid [(8R,9S,10R,13S,14S,17R)-17-(2-Acetoxy-1-Oxoethyl)-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(8R,9S,10R,13S,14S,17R)-17-(2-Acetoxyacetyl)-3-Keto-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester
• Molecular Formula: C₂₅H₃₄O₆
• Molecular Weight: 430.54
• CAS Registry Number: 1807-15-4
• EINECS: 217-307-2
• SMILES: [C@@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)CC3)CC4)C)(C(COC(C)=O)=O)OC(C)=O
• InChI: 1S/C25H34O6/c1-15(26)30-14-22(29)25(31-16(2)27)12-9-21-19-6-5-17-13-18(28)7-10-23(17,3)20(19)8-11-24(21,25)4/h13,19-21H,5-12,14H2,1-4H3/t19-,20+,21+,23+,24+,25+/m1/s1
• InChIKey: IASNEQDWRXBECK-IHKKISOYSA-N

Properties

• Density: 1.199g/cm³ (Cal.)
• Boiling point: 543.813°C at 760 mmHg (Cal.)
• Flash point: 232.777°C (Cal.)