(13alpha,17alpha)-7alpha-Acetoxy-21,23-Epoxy-4,4,8-Trimethyl-24-Nor-5alpha-Chola-1,14,20,22-Tetrene-3,16-Dione
[CAS# 26241-51-0]

Identification

• Name: (13alpha,17alpha)-7alpha-Acetoxy-21,23-Epoxy-4,4,8-Trimethyl-24-Nor-5alpha-Chola-1,14,20,22-Tetrene-3,16-Dione
• Synonyms: [(8R,10R)-17-(3-Furyl)-4,4,8,10,13-Pentamethyl-3,16-Dioxo-6,7,9,11,12,17-Hexahydro-5H-Cyclopenta[A]Phenanthren-7-Yl] Acetate; Acetic Acid [(8R,10R)-17-(3-Furyl)-4,4,8,10,13-Pentamethyl-3,16-Dioxo-6,7,9,11,12,17-Hexahydro-5H-Cyclopenta[A]Phenanthren-7-Yl] Ester; Acetic Acid [(8R,10R)-17-(3-Furyl)-3,16-Diketo-4,4,8,10,13-Pentamethyl-6,7,9,11,12,17-Hexahydro-5H-Cyclopenta[A]Phenanthren-7-Yl] Ester
• Molecular Formula: C₂₈H₃₄O₅
• Molecular Weight: 450.57
• CAS Registry Number: 26241-51-0
• SMILES: [C@]12(C(C(C(=O)C=C1)(C)C)CC([C@@]4(C2CCC5(C(C3=COC=C3)C(C=C45)=O)C)C)OC(C)=O)C
• InChI: 1S/C28H34O5/c1-16(29)33-23-14-20-25(2,3)22(31)8-11-26(20,4)19-7-10-27(5)21(28(19,23)6)13-18(30)24(27)17-9-12-32-15-17/h8-9,11-13,15,19-20,23-24H,7,10,14H2,1-6H3/t19?,20?,23?,24?,26-,27?,28-/m1/s1
• InChIKey: KWAMDQVQFVBEAU-LVPUXVGSSA-N

Properties

• Density: 1.2g/cm³ (Cal.)
• Boiling point: 552.062°C at 760 mmHg (Cal.)
• Flash point: 287.677°C (Cal.)