Chaparrinone
[CAS# 22611-34-3]

Identification

• Name: Chaparrinone
• Synonyms: Picras-3-Ene-2,16-Dione, 11,20-Epoxy-1,11,12-Trihydroxy-, (1-Beta,11-Beta,12-Alpha)-; Aids058884; Picras-3-Ene-2,16-Dione, 11,20-Epoxy-1,11,12-Trihydroxy-15-[(2R)-2-Methyl-1-Oxobutoxy]-,[1.Beta.,11.Beta.,12.Alpha.]
• Molecular Formula: C₂₀H₂₆O₇
• Molecular Weight: 378.42
• CAS Registry Number: 22611-34-3
• SMILES: [C@]25([C@H]3[C@]1([C@H](OC(C[C@H]1[C@H]([C@H]2O)C)=O)C[C@@H]4[C@@]3([C@@H](C(C=C4C)=O)O)C)CO5)O
• InChI: 1S/C20H26O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,9-11,13,15-17,23-25H,5-7H2,1-3H3/t9-,10+,11+,13-,15-,16-,17-,18-,19-,20+/m1/s1
• InChIKey: VLYMLZRDCSQUQF-RZUZYEBMSA-N

Properties

• Density: 1.454g/cm³ (Cal.)
• Boiling point: 626.077°C at 760 mmHg (Cal.)
• Flash point: 224.894°C (Cal.)