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64421-28-9

64421-28-9 Structure

64421-28-9 Structure
IdentificationBack Directory
[Name]

SHANZHISIDE METHYL ESTER
[CAS]

64421-28-9
[Synonyms]

Flavonoids Duyiwei
Shaniside methyl ester
hanzhiside Methyl ester
Shanzhisize methyl ester
SHANZHISIDE METHYL ESTER
SHANZHISIDE METHYLESTER WITH HPLC
methyl (1S,4aS,5R,7S,7aS)-1-(beta-D-glucopyranosyloxy)-5,7-d...
Shanzhiside methyl ester, 98%, from Lamiophlomis rotata (Benth. ex Hook.f.) Kud
1α-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-5α,7α-dihydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester
1α-(β-D-Glucopyranosyloxy)-5α,7α-dihydroxy-7-methyl-1,4aα,5,6,7,7aα-hexahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester
(1S)-1α-(β-D-Glucopyranosyloxy)-5α,7α-dihydroxy-7-methyl-1,4aα,5,6,7,7aα-hexahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester
(1S)-1α-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-5α,7α-dihydroxy-7β-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester
methyl (1S,4aS,5R,7S,7aS)-1-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5,7-dihydroxy-7-methyl-, methyl ester, (1S-(1alpha,4aalpha,5alpha,7alpha,7aalpha))
Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5,7-dihydroxy-7-methyl-,methyl ester, (1S,4aS,5R,7S,7aS)-
Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5,7-dihydroxy-7-methyl-, methyl ester, (1S,4aS,5R,7S,7aS)-
(1S-(1alpha,4aalpha,5alpha,7alpha,7aalpha))-1-(beta-D-Glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5,7-dihydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester
Cyclopenta(C)pyran-4-carboxylicacid,1-(beta-D-glucopyranosyloxy)-1,4A,5,6,7,7A-hexahydro-5,7-dihydroxy-7-Methyl-,Methylester,(1S-(1alpha,4aalpha,5alpha,7alpha,7aalpha))
methyl (1S,4aS,5R,7S,7aS)-5,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
[Molecular Formula]

C17H26O11
[MDL Number]

MFCD00017416
[MOL File]

64421-28-9.mol
[Molecular Weight]

406.38
Chemical PropertiesBack Directory
[Melting point ]

90°C (dec.)
[Boiling point ]

651.4±55.0 °C(Predicted)
[density ]

1.58
[storage temp. ]

Hygroscopic, -20°C Freezer, Under inert atmosphere
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

12.80±0.70(Predicted)
[color ]

Pale Beige
[Stability:]

Hygroscopic
[InChIKey]

KKSYAZCUYVRKML-QDXNKOLPSA-N
[SMILES]

O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)O[C@@H]2OC=C(C3[C@@H](C[C@@](C32)(O)C)O)C(=O)OC
Safety DataBack Directory
[Safety Statements ]

22-24/25
[WGK Germany ]

WGK 3
[HS Code ]

29389090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

White crystalline powder, easily soluble in methanol, ethanol and water, derived from Du Yiwei.
[Uses]

Shanzhiside Methyl Ester displays mild monoamine oxidase inhibition.
[Definition]

ChEBI: Shanzhiside methyl ester is a glycoside and an iridoid monoterpenoid.
[target]

p38MAPK | GLP-1 receptor
Spectrum DetailBack Directory
[Spectrum Detail]

SHANZHISIDE METHYL ESTER(64421-28-9)1HNMR
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