3alpha,17,21-Trihydroxy-5beta-Pregnane-11,20-Dione 3,21-Di(Acetate)
[CAS# 28439-40-9]

Identification

• Name: 3alpha,17,21-Trihydroxy-5beta-Pregnane-11,20-Dione 3,21-Di(Acetate)
• Synonyms: [17-(2-Acetoxyacetyl)-17-Hydroxy-10,13-Dimethyl-11-Oxo-2,3,4,5,6,7,8,9,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Acetate; Acetic Acid [17-(2-Acetoxy-1-Oxoethyl)-17-Hydroxy-10,13-Dimethyl-11-Oxo-2,3,4,5,6,7,8,9,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; Acetic Acid [17-(2-Acetoxyacetyl)-17-Hydroxy-11-Keto-10,13-Dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester
• Molecular Formula: C₂₅H₃₆O₇
• Molecular Weight: 448.56
• CAS Registry Number: 28439-40-9
• EINECS: 249-018-2
• SMILES: C(C(C4(C3(C(C2C(C1(C(CC(OC(C)=O)CC1)CC2)C)C(=O)C3)CC4)C)O)=O)OC(C)=O
• InChI: 1S/C25H36O7/c1-14(26)31-13-21(29)25(30)10-8-19-18-6-5-16-11-17(32-15(2)27)7-9-23(16,3)22(18)20(28)12-24(19,25)4/h16-19,22,30H,5-13H2,1-4H3
• InChIKey: PXQRJZNDFRAFTF-UHFFFAOYSA-N

Properties

• Density: 1.231g/cm³ (Cal.)
• Boiling point: 562.273°C at 760 mmHg (Cal.)
• Flash point: 183.551°C (Cal.)