Allamandin
[CAS# 51820-82-7]

Identification

• Name: Allamandin
• Synonyms: Allamandin
• Molecular Formula: C₁₅H₁₆O₇
• Molecular Weight: 308.29
• CAS Registry Number: 51820-82-7
• SMILES: [C@]234[C@H]1[C@H](O[C@H](O)[C@H]([C@H]1C=C2)C(=O)OC)O[C@H]3\C(=C/C)C(O4)=O
• InChI: 1S/C15H16O7/c1-3-6-10-15(22-11(6)16)5-4-7-8(12(17)19-2)13(18)21-14(20-10)9(7)15/h3-5,7-10,13-14,18H,1-2H3/b6-3+/t7-,8-,9-,10+,13+,14+,15+/m1/s1
• InChIKey: UEOKCUGZTJHPBW-AAKUPCIZSA-N

Properties

• Density: 1.486g/cm³ (Cal.)
• Boiling point: 528.806°C at 760 mmHg (Cal.)
• Flash point: 201.445°C (Cal.)