(4aR)-3,4,4abeta,5,6,7,8,8alpha-Octahydro-8abeta-Vinyl-5beta-Hydroxy-7beta-[(2-Hydroxymethyl-1-Oxo-2-Propenyl)Oxy]-alpha,4-Bis(Methylene)-3-Oxo-1H-2-Benzopyran-6alpha-Acetic Acid Methyl Ester
[CAS# 65388-17-2]

Identification

• Name: (4aR)-3,4,4abeta,5,6,7,8,8alpha-Octahydro-8abeta-Vinyl-5beta-Hydroxy-7beta-[(2-Hydroxymethyl-1-Oxo-2-Propenyl)Oxy]-alpha,4-Bis(Methylene)-3-Oxo-1H-2-Benzopyran-6alpha-Acetic Acid Methyl Ester
• Synonyms: [(4Ar,5R,6S,7S,8Ar)-5-Hydroxy-6-(1-Methoxycarbonylvinyl)-4-Methylene-3-Oxo-8A-Vinyl-1,4A,5,6,7,8-Hexahydroisochromen-7-Yl] 2-(Hydroxymethyl)Prop-2-Enoate; 2-(Hydroxymethyl)Prop-2-Enoic Acid [(4Ar,5R,6S,7S,8Ar)-5-Hydroxy-6-(1-Methoxycarbonylvinyl)-4-Methylene-3-Oxo-8A-Vinyl-1,4A,5,6,7,8-Hexahydroisochromen-7-Yl] Ester; 2-Methylolacrylic Acid [(4Ar,5R,6S,7S,8Ar)-6-(1-Carbomethoxyvinyl)-5-Hydroxy-3-Keto-4-Methylene-8A-Vinyl-1,4A,5,6,7,8-Hexahydroisochromen-7-Yl] Ester
• Molecular Formula: C₂₀H₂₄O₈
• Molecular Weight: 392.40
• CAS Registry Number: 65388-17-2
• SMILES: [C@]12([C@@H]([C@@H](O)[C@@H]([C@H](C1)OC(C(=C)CO)=O)C(C(=O)OC)=C)C(=C)C(OC2)=O)C=C
• InChI: 1S/C20H24O8/c1-6-20-7-13(28-17(23)10(2)8-21)14(11(3)18(24)26-5)16(22)15(20)12(4)19(25)27-9-20/h6,13-16,21-22H,1-4,7-9H2,5H3/t13-,14+,15+,16-,20+/m0/s1
• InChIKey: FZALQGCQQJLGKE-BBNZOYGDSA-N

Properties

• Density: 1.278g/cm³ (Cal.)
• Boiling point: 561.982°C at 760 mmHg (Cal.)
• Flash point: 194.935°C (Cal.)