Phomopsolide A
[CAS# 97529-83-4]

Identification

• Name: Phomopsolide A
• Synonyms: [(2S,3S)-2-[(Z)-4-Hydroxy-3-Oxo-Pent-1-Enyl]-6-Oxo-2,3-Dihydropyran-3-Yl] (E)-2-Methylbut-2-Enoate; (E)-2-Methylbut-2-Enoic Acid [(2S,3S)-2-[(Z)-4-Hydroxy-3-Oxopent-1-Enyl]-6-Oxo-2,3-Dihydropyran-3-Yl] Ester; (E)-2-Methylbut-2-Enoic Acid [(2S,3S)-2-[(Z)-4-H
• Molecular Formula: C₁₅H₁₈O₆
• Molecular Weight: 294.30
• CAS Registry Number: 97529-83-4
• SMILES: [C@H]1(OC(C=C[C@@H]1OC(C(=C/C)/C)=O)=O)\C=C/C(=O)C(O)C
• InChI: 1S/C15H18O6/c1-4-9(2)15(19)21-13-7-8-14(18)20-12(13)6-5-11(17)10(3)16/h4-8,10,12-13,16H,1-3H3/b6-5-,9-4+/t10?,12-,13-/m0/s1
• InChIKey: LJWPJGJLPBFTPH-UZXIAGNXSA-N

Properties

• Density: 1.228g/cm³ (Cal.)
• Boiling point: 485.468°C at 760 mmHg (Cal.)
• Flash point: 178.865°C (Cal.)