ChemicalBook--->CAS DataBase List--->117479-87-5

117479-87-5

117479-87-5 Structure

117479-87-5 Structure
IdentificationBack Directory
[Name]

sesamoside
[CAS]

117479-87-5
[Synonyms]

Methyl (1aR,1bS,2S,5aR,6R,6aS)-2-(β-D-glucopyranosyloxy)-5a,6-dihydroxy-1a-methyl-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylate
(1aR,1bS,2S,5aR,6R,6aS)-2-(beta-D-Glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyloxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylic acid methyl ester
Oxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylic acid, 2-(β-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyl-, methyl ester, (1aR,1bS,2S,5aR,6R,6aS)-
methyl (1aR,1bS,2S,5aR,6R,6aS)-5a,6-dihydroxy-1a-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1b,2,6,6a-tetrahydrooxireno[1,2]cyclopenta[4,5-c]pyran-5-carboxylate
[Molecular Formula]

C17H24O12
[MDL Number]

MFCD20274707
[MOL File]

117479-87-5.mol
[Molecular Weight]

420.37
Chemical PropertiesBack Directory
[Boiling point ]

677.9±55.0 °C(Predicted)
[density ]

1.71
[storage temp. ]

-20°C
[form ]

Solid
[pka]

11.19±0.70(Predicted)
[color ]

White to off-white
[Major Application]

food and beverages
[InChIKey]

XZVXEPPPQBLGMQ-HISQCTEXSA-N
[SMILES]

O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)O[C@@H]2OC=C([C@@]3([C@H]2[C@]4(O[C@H]4[C@H]3O)C)O)C(=O)OC
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

It is a white powder, soluble in organic solvents such as methanol, ethanol, and DMSO, and is derived from Du Yiwei.
[Uses]

Sesamoside is an iridoid component found in Lamium album, Lamium amplexicaule, Lamium garganicum, Lamium maculatum, and Lamium purpureum. Also it is a cytotoxic and Antibacterial agent.
Spectrum DetailBack Directory
[Spectrum Detail]

sesamoside(117479-87-5)1HNMR
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