10-O-Vanilloylaucubin

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For Research Use Only.

Category

Iridoid derivatives

Cat.No.

NP3793

CAS

193969-08-3

Product Name

10-O-Vanilloylaucubin

Structure

Product Details

Description

10-O-Vanilloylaucubin isolated from the herbs of Vitex negundo.

Synonyms

[(1S,4aR,5S,7aS)-1-(β-D-Glucopyranosyloxy)-5-hydroxy-1,4a,5,7a-te trahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxy-3-methoxybenzoat e

IUPAC Name

[(1S,4aR,5S,7aS)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxy-3-methoxybenzoate

Molecular Weight

496.5

Molecular Formula

C23H28O12

Canonical SMILES

COC1=C(C=CC(=C1)C(=O)OCC2=CC(C3C2C(OC=C3)OC4C(C(C(C(O4)CO)O)O)O)O)O

InChI

InChI=1S/C23H28O12/c1-31-15-7-10(2-3-13(15)25)21(30)33-9-11-6-14(26)12-4-5-32-22(17(11)12)35-23-20(29)19(28)18(27)16(8-24)34-23/h2-7,12,14,16-20,22-29H,8-9H2,1H3/t12-,14+,16+,17+,18+,19-,20+,22-,23-/m0/s1

InChIKey

VTYVNBXSLBXSGD-IFWLTBFJSA-N

Purity

> 95%

Appearance

Powder

Application

analgesic effects

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