2-(3-Hydroxy-4-Methoxyphenyl)Ethyl 3-O-(6-Deoxy-alpha-L-Mannopyranosyl)-beta-D-Glucopyranoside 4-[3-(3-Hydroxy-4-Methoxyphenyl)-2-Propenoate]
[CAS# 80377-39-5]

Identification

• Name: 2-(3-Hydroxy-4-Methoxyphenyl)Ethyl 3-O-(6-Deoxy-alpha-L-Mannopyranosyl)-beta-D-Glucopyranoside 4-[3-(3-Hydroxy-4-Methoxyphenyl)-2-Propenoate]
• Synonyms: [(2R,3R,4R,5R,6R)-5-Hydroxy-6-[2-(3-Hydroxy-4-Methoxy-Phenyl)Ethoxy]-2-(Hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl] (E)-3-(3-Hydroxy-4-Methoxy-Phenyl)Prop-2-Enoate; (E)-3-(3-Hydroxy-4-Methoxyphenyl)Prop-2-Enoic Acid [(2R,3R,4R,5R,6R)-5-Hydroxy-6-[2-(3-Hydroxy-4-Methoxyphenyl)Ethoxy]-2-(Hydroxymethyl)-4-[[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-3-Tetrahydropyranyl] Ester; (E)-3-(3-Hydroxy-4-Methoxy-Phenyl)Acrylic Acid [(2R,3R,4R,5R,6R)-5-Hydroxy-6-[2-(3-Hydroxy-4-Methoxy-Phenyl)Ethoxy]-2-Methylol-4-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₃₁H₄₀O₁₅
• Molecular Weight: 652.65
• CAS Registry Number: 80377-39-5
• SMILES: [C@@H]1([C@@H]([C@@H](CO)O[C@H]([C@@H]1O)OCCC2=CC(=C(C=C2)OC)O)OC(/C=C/C3=CC(=C(C=C3)OC)O)=O)O[C@H]4[C@@H]([C@H](O)[C@H]([C@@H](O4)C)O)O
• InChI: 1S/C31H40O15/c1-15-24(36)25(37)26(38)31(43-15)46-29-27(39)30(42-11-10-17-5-8-21(41-3)19(34)13-17)44-22(14-32)28(29)45-23(35)9-6-16-4-7-20(40-2)18(33)12-16/h4-9,12-13,15,22,24-34,36-39H,10-11,14H2,1-3H3/b9-6+/t15-,22+,24-,25+,26+,27+,28+,29+,30+,31-/m0/s1
• InChIKey: VDWSYBFEQXWINA-CNMJWYMJSA-N

Properties

• Density: 1.49g/cm³ (Cal.)
• Boiling point: 885.457°C at 760 mmHg (Cal.)
• Flash point: 281.874°C (Cal.)