ChemicalBook--->CAS DataBase List--->25368-11-0

25368-11-0

25368-11-0 Structure

25368-11-0 Structure
IdentificationBack Directory
[Name]

asperulosidic acid
[CAS]

25368-11-0
[Synonyms]

asperulosidic acid
Asperulosidic acid >=90% (LC/MS-ELSD)
(1S,4aS,5S,7aS)-7-[(Acetyloxy)methyl]-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxycyclopenta[c]pyran-4-carboxylic acid
Cyclopenta[c]pyran-4-carboxylic acid, 7-[(acetyloxy)methyl]-1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-, (1S,4aS,5S,7aS)-
[Molecular Formula]

C18H24O12
[MDL Number]

MFCD32901112
[MOL File]

25368-11-0.mol
[Molecular Weight]

432.376
Chemical PropertiesBack Directory
[Boiling point ]

715.6±60.0 °C(Predicted)
[density ]

1?+-.0.1 g/cm3(Predicted)
[storage temp. ]

?20°C
[solubility ]

Soluble in DMSO, ethanol, methanol and pyridine
[form ]

powder
[pka]

4.32±0.70(Predicted)
[color ]

White
[Major Application]

metabolomics
vitamins, nutraceuticals, and natural products
[InChIKey]

DGDWCRWJRNMRKX-RREGBWJVNA-N
[SMILES]

[C@@H]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(O)=O)[C@@]2([H])[C@@H](O)C=C(COC(C)=O)[C@@]12[H] |&1:0,2,4,7,9,11,19,21,30,r|
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Asperulosidic Acid is a derivative of Asperuloside (A790260), an iridoid found in Paederia foetida and is an inhibitor of xanthine oxidase and is used in the treatment of various disorders including inflammatory and cardiovascular diseases.
[Definition]

ChEBI: Asperulosidic acid is a glycoside and an iridoid monoterpenoid.
[Synthesis]

Take 10kg of C. alba and add 10 times the volume concentration of 75% ethanol reflux extraction twice, each time 1h, 60 ℃ concentrated under reduced pressure to the relative density of 1.10-1.20; to the concentrate add 0.5% by weight of activated charcoal
[target]

EGFR | AP-1
Spectrum DetailBack Directory
[Spectrum Detail]

asperulosidic acid(25368-11-0)1HNMR
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