Onopordopicrin
[CAS# 19889-00-0]

Identification

• Name: Onopordopicrin
• Synonyms: [(3Ar,4S,6E,10Z,11Ar)-10-(Hydroxymethyl)-6-Methyl-3-Methylene-2-Oxo-3A,4,5,8,9,11A-Hexahydrocyclodeca[B]Furan-4-Yl] 2-(Hydroxymethyl)Prop-2-Enoate; 2-(Hydroxymethyl)Prop-2-Enoic Acid [(3Ar,4S,6E,10Z,11Ar)-10-(Hydroxymethyl)-6-Methyl-3-Methylene-2-Oxo-3A,4,5,8,9,11A-Hexahydrocyclodeca[B]Furan-4-Yl] Ester; 2-Methylolacrylic Acid [(3Ar,4S,6E,10Z,11Ar)-2-Keto-6-Methyl-3-Methylene-10-Methylol-3A,4,5,8,9,11A-Hexahydrocyclodeca[D]Furan-4-Yl] Ester
• Molecular Formula: C₁₉H₂₄O₆
• Molecular Weight: 348.40
• CAS Registry Number: 19889-00-0
• SMILES: [C@H]12C(C(O[C@@H]1\C=C(/CO)CC\C=C(C[C@@H]2OC(C(=C)CO)=O)/C)=O)=C
• InChI: 1S/C19H24O6/c1-11-5-4-6-14(10-21)8-16-17(13(3)19(23)25-16)15(7-11)24-18(22)12(2)9-20/h5,8,15-17,20-21H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16+,17+/m0/s1
• InChIKey: NOZAJYKZMCFNFG-WULVTUHRSA-N

Properties

• Density: 1.231g/cm³ (Cal.)
• Boiling point: 571.099°C at 760 mmHg (Cal.)
• Flash point: 203.326°C (Cal.)