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52613-28-2

52613-28-2 Structure

52613-28-2 Structure
IdentificationBack Directory
[Name]

Deacetyl asperulosidic acid methyl ester
[CAS]

52613-28-2
[Synonyms]

6-Epiferetoside
6α-hydroxygeniposide
6-alpha-Hydroxygeniposide
Methyl deacetylasperulosidate
Deacetylasperuloside acid methyl ester
Deacetyl asperulosidic acid methyl ester
Deacetylasperulosidic acid methyl ester, 98%, from Kadsura interior
Asperulosidic Acid Impurity 3 (Deacetylasperulosidic Acid Methyl Ester)
Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)-, methyl ester, (1S,4aS,5S,7aS)-
[Molecular Formula]

C17H24O11
[MDL Number]

MFCD21364063
[MOL File]

52613-28-2.mol
[Molecular Weight]

404.37
Chemical PropertiesBack Directory
[Boiling point ]

696.3±55.0 °C(Predicted)
[density ]

1.61±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

DMSO : 250 mg/mL (618.25 mM; Need ultrasonic)Methanol : 62.5 mg/mL (154.56 mM; Need ultrasonic)
[form ]

Powder
[pka]

12.80±0.70(Predicted)
[color ]

White to off-white
[InChIKey]

WSGPLSDARZNMCW-FCVLBCLDSA-N
[SMILES]

O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)O[C@@H]2OC=C([C@@H]3[C@H]2C(=C[C@@H]3O)CO)C(=O)OC
Safety DataBack Directory
[Safety Statements ]

24/25
[WGK Germany ]

WGK 3
[HS Code ]

29389090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Chemical Properties]

Soluble in methanol, derived from the plant Ceratonia suffruticosa.
[Uses]

Methyl deacetylasperulosidate is an iridoid and shows purgative effects in mice and lowers the blood glucose level in normal mice[1].
[References]

[1] Lucia Maria Conserva, et al. Borreria and Spermacoce species (Rubiaceae): A review of their ethnomedicinal properties, chemical constituents, and biological activities. Pharmacogn Rev. 2012 Jan;6(11):46-55. DOI:10.4103/0973-7847.95866
Spectrum DetailBack Directory
[Spectrum Detail]

Deacetyl asperulosidic acid methyl ester(52613-28-2)1HNMR
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