(13alpha,17alpha)-7alpha-Acetoxy-21,23-Epoxy-4,4,8-Trimethyl-24-Nor-5alpha-Chola-1,14,20,22-Tetren-3-One
[CAS# 25279-67-8]

Identification

• Name: (13alpha,17alpha)-7alpha-Acetoxy-21,23-Epoxy-4,4,8-Trimethyl-24-Nor-5alpha-Chola-1,14,20,22-Tetren-3-One
• Synonyms: [(5R,7R,9R,10R,13S,17R)-17-(3-Furyl)-4,4,8,10,13-Pentamethyl-3-Oxo-5,6,7,9,11,12,16,17-Octahydrocyclopenta[A]Phenanthren-7-Yl] Acetate; Acetic Acid [(5R,7R,9R,10R,13S,17R)-17-(3-Furyl)-4,4,8,10,13-Pentamethyl-3-Oxo-5,6,7,9,11,12,16,17-Octahydrocyclopenta[A]Phenanthren-7-Yl] Ester; Acetic Acid [(5R,7R,9R,10R,13S,17R)-17-(3-Furyl)-3-Keto-4,4,8,10,13-Pentamethyl-5,6,7,9,11,12,16,17-Octahydrocyclopenta[A]Phenanthren-7-Yl] Ester
• Molecular Formula: C₂₈H₃₆O₄
• Molecular Weight: 436.59
• CAS Registry Number: 25279-67-8
• SMILES: [C@@H]24C(C1=CC[C@H]([C@@]1(CC2)C)C3=COC=C3)([C@H](OC(=O)C)C[C@@H]5[C@@]4(C=CC(=O)C5(C)C)C)C
• InChI: 1S/C28H36O4/c1-17(29)32-24-15-22-25(2,3)23(30)10-13-27(22,5)21-9-12-26(4)19(18-11-14-31-16-18)7-8-20(26)28(21,24)6/h8,10-11,13-14,16,19,21-22,24H,7,9,12,15H2,1-6H3/t19-,21+,22-,24+,26-,27+,28?/m0/s1
• InChIKey: XXIKKMLIDXLAIK-WXRJWOCWSA-N