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87667-61-6

87667-61-6 Structure

87667-61-6 Structure
IdentificationBack Directory
[Name]

6′-(p-Hydroxybenzoyl)mussaenosidic acid
[CAS]

87667-61-6
[Synonyms]

6′-(p-Hydroxybenzoyl)mussaenosidic acid
6'-?(p-?Hydroxybenzoyl)?mussaenosidic Acid
6'-(p-Hydroxybenzoyl)mussaenosidic acid >=95% (LC/MS-ELSD)
Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-7-hydroxy-1-[[6-O-(4-hydroxybenzoyl)-β-D-glucopyranosyl]oxy]-7-methyl-, (1S,4aS,7S,7aS)-
[Molecular Formula]

C23H28O12
[MDL Number]

MFCD24849338
[MOL File]

87667-61-6.mol
[Molecular Weight]

496.461
Chemical PropertiesBack Directory
[Boiling point ]

749.2±60.0 °C(Predicted)
[density ]

1.59±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C
[form ]

solid
[pka]

4.53±0.60(Predicted)
[Major Application]

metabolomics
vitamins, nutraceuticals, and natural products
[InChIKey]

IUXOFSAPFXGQID-KLZCBZFCSA-N
[SMILES]

C[C@]1(O)CC[C@H]2[C@@H]1[C@@H](OC=C2C(O)=O)O[C@@H]3O[C@H](COC(=O)c4ccc(O)cc4)[C@@H](O)[C@H](O)[C@H]3O
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36
[Safety Statements ]

26
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Hazard InformationBack Directory
[Uses]

6''-?(p-?Hydroxybenzoyl)?mussaenosidic Acid is a glucoside iridoid found in Citex agnus-castus which exhibits antioxidant activity.
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