ChemicalBook--->CAS DataBase List--->80416-52-0

80416-52-0

80416-52-0 Structure

80416-52-0 Structure
IdentificationBack Directory
[Name]

13-O-p-Coumaroylplumieride
[CAS]

80416-52-0
[Synonyms]

Plumeride p-coumarate
13-O-p-coumaroylplumeride
13-O-p-Coumaroylplumieride
Spiro[cyclopenta[c]pyran-7(1H),2'(5'H)-furan]-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-4a,7a-dihydro-4'-[1-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]ethyl]-5'-oxo-, methyl ester, [1S-[1α,4aα,7α(R*),7aα]]- (9CI)
[Molecular Formula]

C30H32O14
[MDL Number]

MFCD20274709
[MOL File]

80416-52-0.mol
[Molecular Weight]

616.57
Chemical PropertiesBack Directory
[Boiling point ]

870.9±65.0 °C(Predicted)
[density ]

1.55±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C
[form ]

solid
[pka]

8.57±0.15(Predicted)
[Major Application]

metabolomics
vitamins, nutraceuticals, and natural products
[InChIKey]

WBCMGDNFDRNGGZ-DEYYTONKSA-N
[SMILES]

COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1C=C[C@]34OC(=O)C(=C4)[C@H](C)OC(=O)\C=C\c5ccc(O)cc5
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

metabolomics
vitamins, nutraceuticals, and natural products
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