[(2S,3R,4R)-5-[(2S,3R,4S,5R)-3,5-Dihydroxy-2-[(2R,3R,4R)-1,3,4-Trihydroxy-5-Oxopentan-2-Yl]Oxyoxan-4-Yl]Oxy-3,4-Dihydroxyoxolan-2-Yl]Methyl (E)-3-(4-Hydroxy-3-Methoxyphenyl)Prop-2-Enoate
[CAS# 102339-98-0]

Identification

• Name: [(2S,3R,4R)-5-[(2S,3R,4S,5R)-3,5-Dihydroxy-2-[(2R,3R,4R)-1,3,4-Trihydroxy-5-Oxopentan-2-Yl]Oxyoxan-4-Yl]Oxy-3,4-Dihydroxyoxolan-2-Yl]Methyl (E)-3-(4-Hydroxy-3-Methoxyphenyl)Prop-2-Enoate
• Synonyms: [(2S,3R,4R)-5-[(2S,3R,4S,5R)-2-[(1R,2R,3R)-2,3-Dihydroxy-1-(Hydroxymethyl)-4-Oxo-Butoxy]-3,5-Dihydroxy-Tetrahydropyran-4-Yl]Oxy-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (E)-3-(4-Hydroxy-3-Methoxy-Phenyl)Prop-2-Enoate; (E)-3-(4-Hydroxy-3-Methoxyphenyl)Prop-2-Enoic Acid [(2S,3R,4R)-5-[[(2S,3R,4S,5R)-2-[(1R,2R,3R)-2,3-Dihydroxy-1-(Hydroxymethyl)-4-Oxobutoxy]-3,5-Dihydroxy-4-Tetrahydropyranyl]Oxy]-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Ester; (E)-3-(4-Hydroxy-3-Methoxy-Phenyl)Acrylic Acid [(2S,3R,4R)-5-[(2S,3R,4S,5R)-2-[(1R,2R,3R)-2,3-Dihydroxy-4-Keto-1-Methylol-Butoxy]-3,5-Dihydroxy-Tetrahydropyran-4-Yl]Oxy-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Ester
• Molecular Formula: C₂₅H₃₄O₁₆
• Molecular Weight: 590.53
• CAS Registry Number: 102339-98-0
• SMILES: [C@H]1([C@H]([C@@H](OC1O[C@@H]2[C@H]([C@@H](OC[C@H]2O)O[C@H](CO)[C@H](O)[C@H](C=O)O)O)COC(\C=C\C3=CC(=C(C=C3)O)OC)=O)O)O
• InChI: 1S/C25H34O16/c1-36-15-6-11(2-4-12(15)28)3-5-18(31)37-10-17-20(33)21(34)25(40-17)41-23-14(30)9-38-24(22(23)35)39-16(8-27)19(32)13(29)7-26/h2-7,13-14,16-17,19-25,27-30,32-35H,8-10H2,1H3/b5-3+/t13-,14+,16+,17-,19+,20-,21+,22+,23-,24-,25?/m0/s1
• InChIKey: ZZXREVQVZCYAIE-IGBVEJJSSA-N

Properties

• Density: 1.597g/cm³ (Cal.)
• Boiling point: 934.77°C at 760 mmHg (Cal.)
• Flash point: 309.007°C (Cal.)