(13alpha,17alpha)-6alpha-Acetoxy-21,23-Epoxy-7alpha-Hydroxy-4,4,8-Trimethyl-24-Nor-5alpha-Chola-14,20,22-Trien-3-One
[CAS# 19865-83-9]

Identification

• Name: (13alpha,17alpha)-6alpha-Acetoxy-21,23-Epoxy-7alpha-Hydroxy-4,4,8-Trimethyl-24-Nor-5alpha-Chola-14,20,22-Trien-3-One
• Synonyms: [(5R,6R,7S,9R,10R,13S,17R)-17-(3-Furyl)-7-Hydroxy-4,4,8,10,13-Pentamethyl-3-Oxo-1,2,5,6,7,9,11,12,16,17-Decahydrocyclopenta[A]Phenanthren-6-Yl] Acetate; Acetic Acid [(5R,6R,7S,9R,10R,13S,17R)-17-(3-Furyl)-7-Hydroxy-4,4,8,10,13-Pentamethyl-3-Oxo-1,2,5,6,7,9,11,12,16,17-Decahydrocyclopenta[A]Phenanthren-6-Yl] Ester; Acetic Acid [(5R,6R,7S,9R,10R,13S,17R)-17-(3-Furyl)-7-Hydroxy-3-Keto-4,4,8,10,13-Pentamethyl-1,2,5,6,7,9,11,12,16,17-Decahydrocyclopenta[A]Phenanthren-6-Yl] Ester
• Molecular Formula: C₂₈H₃₈O₅
• Molecular Weight: 454.61
• CAS Registry Number: 19865-83-9
• SMILES: [C@@H]13[C@@]5([C@@H]([C@@H](OC(=O)C)[C@@H](O)C1(C2=CC[C@H]([C@@]2(CC3)C)C4=COC=C4)C)C(C(=O)CC5)(C)C)C
• InChI: 1S/C28H38O5/c1-16(29)33-22-23-25(2,3)21(30)10-13-27(23,5)20-9-12-26(4)18(17-11-14-32-15-17)7-8-19(26)28(20,6)24(22)31/h8,11,14-15,18,20,22-24,31H,7,9-10,12-13H2,1-6H3/t18-,20+,22+,23-,24+,26-,27+,28?/m0/s1
• InChIKey: KKBYMJHRFVZUIQ-SAGQAIRCSA-N

Properties

• Density: 1.186g/cm³ (Cal.)
• Boiling point: 529.14°C at 760 mmHg (Cal.)
• Flash point: 273.814°C (Cal.)