4'-Cinnamoylmussatioside
[CAS# 110219-94-8]

Identification

• Name: 4'-Cinnamoylmussatioside
• Synonyms: [(2S,3S,4S,5R,6R)-5-Hydroxy-2-Methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[2-(4-Hydroxyphenyl)Ethoxy]Tetrahydropyran-2-Yl]Methoxy]-4-[(2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl] (E)-3-Phenylprop-2-Enoate; (E)-3-Phenylprop-2-Enoic Acid [(2S,3S,4S,5R,6R)-5-Hydroxy-2-Methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[2-(4-Hydroxyphenyl)Ethoxy]-2-Tetrahydropyranyl]Methoxy]-4-[[(2S,3R,4S,5R)-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]-3-Tetrahydropyranyl] Ester; (E)-3-Phenylacrylic Acid [(2S,3S,4S,5R,6R)-5-Hydroxy-2-Methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[2-(4-Hydroxyphenyl)Ethoxy]Tetrahydropyran-2-Yl]Methoxy]-4-[(2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₃₄H₄₄O₁₆
• Molecular Weight: 708.71
• CAS Registry Number: 110219-94-8
• SMILES: [C@@H]1([C@H]([C@@H](O[C@H]([C@@H]1OC(/C=C/C2=CC=CC=C2)=O)C)OC[C@H]3O[C@H]([C@H](O)[C@H]([C@@H]3O)O)OCCC4=CC=C(C=C4)O)O)O[C@H]5[C@@H]([C@@H](O)[C@@H](CO5)O)O
• InChI: 1S/C34H44O16/c1-17-30(49-23(37)12-9-18-5-3-2-4-6-18)31(50-33-27(41)24(38)21(36)15-45-33)29(43)34(47-17)46-16-22-25(39)26(40)28(42)32(48-22)44-14-13-19-7-10-20(35)11-8-19/h2-12,17,21-22,24-36,38-43H,13-16H2,1H3/b12-9+/t17-,21+,22+,24-,25+,26-,27+,28+,29+,30-,31-,32+,33-,34+/m0/s1
• InChIKey: YQECXCJMTXVAQP-VFGRUNSYSA-N

Properties

• Density: 1.513g/cm³ (Cal.)
• Boiling point: 930.835°C at 760 mmHg (Cal.)
• Flash point: 290.956°C (Cal.)