6 alpha-Tigloyloxychaparrinone
[CAS# 69423-71-8]

Identification

• Name: 6 alpha-Tigloyloxychaparrinone
• Synonyms: Picras-3-Ene-2,11,16-Trione, 1,12,20-Tris(Acetyloxy)-6-((2-Methyl-1-Oxo-2-Butenyl)Oxy)-, (1Beta,6Alpha(E),12Alpha)-; (1Beta,6Alpha(E),12Alpha)-1,12,20-Tris(Acetyloxy)-6-((2-Methyl-1-Oxo-2-Butenyl)Oxy)Picras-3-Ene-2,11,16-Trione; 6Alpha-Tigloyloxychaparrinone
• Molecular Formula: C₃₁H₃₈O₁₂
• Molecular Weight: 602.63
• CAS Registry Number: 69423-71-8
• SMILES: [C@@]12(C3[C@@]4([C@@H]([C@@H](OC(=O)C(=C/C)/C)C1OC(=O)C[C@H]2[C@H]([C@@H](OC(=O)C)C3=O)C)C(=CC(=O)[C@H]4OC(=O)C)C)C)COC(=O)C
• InChI: 1S/C31H38O12/c1-9-13(2)29(38)43-25-22-14(3)10-20(35)27(41-18(7)34)30(22,8)26-23(37)24(40-17(6)33)15(4)19-11-21(36)42-28(25)31(19,26)12-39-16(5)32/h9-10,15,19,22,24-28H,11-12H2,1-8H3/b13-9+/t15-,19+,22-,24-,25-,26?,27-,28?,30+,31+/m1/s1
• InChIKey: AVXDGNWOEIYLRI-HUONLFGMSA-N

Properties

• Density: 1.311g/cm³ (Cal.)
• Boiling point: 699.79°C at 760 mmHg (Cal.)
• Flash point: 290.32°C (Cal.)