3,4-Dihydroxy-beta-phenylethoxy-O-beta-xylopyranosyl-(1-2)-alpha-rhamnopyranosyl-(1-3)-4-O-caffeoyl-beta-glucopyranoside
[CAS# 129097-46-7]

Identification

• Name: 3,4-Dihydroxy-beta-phenylethoxy-O-beta-xylopyranosyl-(1-2)-alpha-rhamnopyranosyl-(1-3)-4-O-caffeoyl-beta-glucopyranoside
• Synonyms: (E)-3-(3,4-Dihydroxyphenyl)Acrylic Acid [(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-Dihydroxy-6-Methyl-3-[(2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-6-[2-(3,4-Dihydroxyphenyl)Ethoxy]-5-Hydroxy-2-Methylol-Tetrahydropyran-3-Yl] Ester; [(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-Dihydroxy-6-Methyl-3-[(2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-6-[2-(3,4-Dihydroxyphenyl)Ethoxy]-5-Hydroxy-2-(Hydroxymethyl)Tetrahydropyran-3-Yl] (E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoate; (E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid [(2R,3R,4R,5R,6R)-4-[[(2S,3R,4R,5R,6S)-4,5-Dihydroxy-6-Methyl-3-[[(2S,3R,4S,5R)-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-6-[2-(3,4-Dihydroxyphenyl)Ethoxy]-5-Hydroxy-2-(Hydroxymethyl)-3-Tetrahydropyranyl] Ester
• Molecular Formula: C₃₄H₄₄O₁₉
• Molecular Weight: 756.71
• CAS Registry Number: 129097-46-7
• SMILES: [C@@H]1([C@@H]([C@@H](CO)O[C@H]([C@@H]1O)OCCC2=CC=C(O)C(=C2)O)OC(/C=C/C3=CC(=C(C=C3)O)O)=O)O[C@H]4[C@@H]([C@H](O)[C@H]([C@@H](O4)C)O)O[C@H]5[C@@H]([C@@H](O)[C@@H](CO5)O)O
• InChI: 1S/C34H44O19/c1-14-24(42)26(44)31(53-32-27(45)25(43)21(40)13-48-32)34(49-14)52-30-28(46)33(47-9-8-16-3-6-18(37)20(39)11-16)50-22(12-35)29(30)51-23(41)7-4-15-2-5-17(36)19(38)10-15/h2-7,10-11,14,21-22,24-40,42-46H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25-,26+,27+,28+,29+,30+,31+,32-,33+,34-/m0/s1
• InChIKey: UDHCHDJLZGYDDM-UVQMCPPLSA-N