ChemicalBook--->CAS DataBase List--->117405-51-3

117405-51-3

117405-51-3 Structure

117405-51-3 Structure
IdentificationBack Directory
[Name]

4-hydroxy-3-methoxycinnamic acid 4-O-β-D-glucopyranoside
[CAS]

117405-51-3
[Synonyms]

Lavandoside
trans-Ferulic acid-4-β-glucoside
(E)-Ferulic acid 4-O-β-D-glucoside
(E)-ferulic acid 4-O-beta-D-glucoside
4-hydroxy-3-methoxycinnamic acid 4-O-β-D-glucopyranoside
4-hydroxy-3-methoxycinnamic acid 4-O-β-D-glucopyranoside
4-hydroxy-3-methoxycinnamicacid4-O-beta-D-glucopyranoside
(E)-4-Hydroxy-3-methoxycinnamic acid 4-O-β-D-glucopyranoside
(2E)-3-[4-(beta-D-Glucopyranosyloxy)-3-methoxyphenyl]-2-propenoic acid
2-Propenoic acid, 3-[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]-, (2E)-
[Molecular Formula]

C16H20O9
[MOL File]

117405-51-3.mol
[Molecular Weight]

356.32
Chemical PropertiesBack Directory
[Boiling point ]

642.0±55.0 °C(Predicted)
[density ]

1.509±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Solid
[pka]

4.47±0.10(Predicted)
[color ]

White to off-white
[InChI]

InChI=1/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/s3
[InChIKey]

IEMIRSXOYFWPFD-KJZSCJORNA-N
[SMILES]

C(O)(=O)/C=C/C1C=CC(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C(OC)C=1 |&1:10,11,13,15,17,r|
Hazard InformationBack Directory
[Uses]

Lavandoside is an active compound found from Lavandula spica flowers[1].
[Definition]

ChEBI: (2E)-3-[4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl]acrylic acid is a glycoside.
[References]

[1] Kurkin, V.A., et al. Lavandoside from Lavandula spica flowers. Chem Nat Compd 44, 169–170 (2008).
Spectrum DetailBack Directory
[Spectrum Detail]

4-hydroxy-3-methoxycinnamic acid 4-O-β-D-glucopyranoside(117405-51-3)1HNMR
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