Chaparrin
[CAS# 4616-50-6]

Identification

• Name: Chaparrin
• Molecular Formula: C₂₀H₂₈O₇
• Molecular Weight: 380.44
• CAS Registry Number: 4616-50-6
• 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@H](C=C4C)O)O)C)CO5)O
• InChI: 1S/C20H28O7/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/h4,9-13,15-17,21,23-25H,5-7H2,1-3H3/t9-,10+,11+,12+,13-,15-,16-,17-,18-,19-,20+/m1/s1
• InChIKey: SYRCAVSNPCUQCQ-ZKNGBWAJSA-N

Properties

• Density: 1.455g/cm³ (Cal.)
• Boiling point: 597.702°C at 760 mmHg (Cal.)
• Flash point: 212.855°C (Cal.)