Phomopsolide B
[CAS# 97529-84-5]

Identification

• Name: Phomopsolide B
• Synonyms: (E)-2-Methylbut-2-Enoic Acid [(2S,3S)-2-[(E,3S,4S)-3,4-Dihydroxypent-1-Enyl]-6-Oxo-2,3-Dihydropyran-3-Yl] Ester; (E)-2-Methylbut-2-Enoic Acid [(2S,3S)-2-[(E,3S,4S)-3,4-Dihydroxypent-1-Enyl]-6-Keto-2,3-Dihydropyran-3-Yl] Ester; Acon1_001076
• Molecular Formula: C₁₅H₂₀O₆
• Molecular Weight: 296.32
• CAS Registry Number: 97529-84-5
• SMILES: [C@H]1(OC(C=C[C@@H]1OC(C(=C/C)/C)=O)=O)/C=C/[C@@H]([C@@H](O)C)O
• InChI: 1S/C15H20O6/c1-4-9(2)15(19)21-13-7-8-14(18)20-12(13)6-5-11(17)10(3)16/h4-8,10-13,16-17H,1-3H3/b6-5+,9-4+/t10-,11-,12-,13-/m0/s1
• InChIKey: JTHHOHSDOJJNFN-HIWLEQICSA-N

Properties

• Density: 1.231g/cm³ (Cal.)
• Boiling point: 508.395°C at 760 mmHg (Cal.)
• Flash point: 187.407°C (Cal.)