(1alpha,3alpha,7alpha,9xi,13alpha,14beta,15beta,17alpha)-17-(3-Furyl)-4,4,8-Trimethyl-16-Oxo-14,15-Epoxyandrostane-1,3,7-Triyl Triacetate
[CAS# 25279-68-9]

Identification

• Name: (1alpha,3alpha,7alpha,9xi,13alpha,14beta,15beta,17alpha)-17-(3-Furyl)-4,4,8-Trimethyl-16-Oxo-14,15-Epoxyandrostane-1,3,7-Triyl Triacetate
• Synonyms: KHAYANTHONE; DivK1c_006149
• Molecular Formula: C₃₂H₄₂O₉
• Molecular Weight: 570.67
• CAS Registry Number: 25279-68-9
• SMILES: O=C4[C@@H](c1ccoc1)[C@@]6(CCC2[C@]([C@H](OC(=O)C)CC3[C@]2(C)[C@@H](OC(=O)C)C[C@@H](OC(=O)C)C3(C)C)(C)[C@]65O[C@H]45)C
• InChI: 1S/C32H42O9/c1-16(33)38-22-14-23(39-17(2)34)30(7)20-9-11-29(6)25(19-10-12-37-15-19)26(36)27-32(29,41-27)31(20,8)24(40-18(3)35)13-21(30)28(22,4)5/h10,12,15,20-25,27H,9,11,13-14H2,1-8H3/t20?,21?,22-,23+,24-,25-,27-,29+,30-,31+,32-/m1/s1
• InChIKey: AKPJXLBXDLSOFY-YCUUMJCDSA-N

Properties

• Density: 1.264g/cm³ (Cal.)
• Boiling point: 612.488°C at 760 mmHg (Cal.)
• Flash point: 324.222°C (Cal.)
• Refractive index: 1.56 (Cal.)