5''-O-Syringoylkelampayoside A

Inquiry

For Research Use Only.

Category

Phenols

Cat.No.

NP4784

CAS

1014974-98-1

Product Name

5''-O-Syringoylkelampayoside A

Structure

Product Details

Description

5''-O-Syringoylkelampayoside A is a natural phenol found in the herbs of Gardenia sootepensis.

Synonyms

3,4,5-Trimethoxyphenyl 6-O-[5-O-(4-hydroxy-3,5-dimethoxybenzoyl)-D-apio-beta-D-furanosyl]-beta-D-glucopyranoside

IUPAC Name

[(3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3,4,5-trimethoxyphenoxy)oxan-2-yl]methoxy]oxolan-3-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate

Molecular Weight

658.6

Molecular Formula

C29H38O17

Canonical SMILES

COC1=CC(=CC(=C1O)OC)C(=O)OCC2(COC(C2O)OCC3C(C(C(C(O3)OC4=CC(=C(C(=C4)OC)OC)OC)O)O)O)O

InChI

InChI=1S/C29H38O17/c1-37-15-6-13(7-16(38-2)20(15)30)26(35)43-11-29(36)12-44-28(25(29)34)42-10-19-21(31)22(32)23(33)27(46-19)45-14-8-17(39-3)24(41-5)18(9-14)40-4/h6-9,19,21-23,25,27-28,30-34,36H,10-12H2,1-5H3/t19-,21-,22+,23-,25+,27-,28-,29-/m1/s1

InChIKey

JXFLXUHEPVEMKK-UTDQSPDHSA-N

Boiling Point

868.3±65.0 °C(Predicted)

Purity

>95%

Density

1.52±0.1 g/cm3(Predicted)

Appearance

Powder

pKa

8.23±0.25(Predicted)

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