2-Hydroxymethylpropenoic Acid [(3aR,9abeta,9balpha)-Decahydro-5abeta-Vinyl-3,9-Bis(Methylene)-2,8-Dioxo-2H-Furo[2,3-f][2]Benzopyran-4beta-Yl] Ester
[CAS# 21871-10-3]

Identification

• Name: 2-Hydroxymethylpropenoic Acid [(3aR,9abeta,9balpha)-Decahydro-5abeta-Vinyl-3,9-Bis(Methylene)-2,8-Dioxo-2H-Furo[2,3-f][2]Benzopyran-4beta-Yl] Ester
• Synonyms: [(3Ar,4S,5Ar,9Ar,9Br)-3,9-Dimethylene-2,8-Dioxo-5A-Vinyl-3A,4,5,6,9A,9B-Hexahydropyrano[5,4-G]Benzofuran-4-Yl] 2-(Hydroxymethyl)Prop-2-Enoate; 2-(Hydroxymethyl)Prop-2-Enoic Acid [(3Ar,4S,5Ar,9Ar,9Br)-3,9-Dimethylene-2,8-Dioxo-5A-Vinyl-3A,4,5,6,9A,9B-Hexahydropyrano[5,4-G]Benzofuran-4-Yl] Ester; 2-Methylolacrylic Acid [(3Ar,4S,5Ar,9Ar,9Br)-2,8-Diketo-3,9-Dimethylene-5A-Vinyl-3A,4,5,6,9A,9B-Hexahydropyrano[5,4-G]Benzofuran-4-Yl] Ester
• Molecular Formula: C₁₉H₂₀O₇
• Molecular Weight: 360.36
• CAS Registry Number: 21871-10-3
• SMILES: [C@@H]12[C@H](C(=C)C(O1)=O)[C@@H](OC(C(=C)CO)=O)C[C@]3([C@@H]2C(C(OC3)=O)=C)C=C
• InChI: 1S/C19H20O7/c1-5-19-6-12(25-16(21)9(2)7-20)13-10(3)18(23)26-15(13)14(19)11(4)17(22)24-8-19/h5,12-15,20H,1-4,6-8H2/t12-,13+,14+,15-,19+/m0/s1
• InChIKey: ZSXNBLOPYIJLQV-WSVVRNJXSA-N

Properties

• Density: 1.311g/cm³ (Cal.)
• Boiling point: 599.156°C at 760 mmHg (Cal.)
• Flash point: 216.553°C (Cal.)