CAS 64421-28-9

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

Description:

The chemical substance with the name "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" and CAS number 64421-28-9 is a complex organic compound characterized by its unique stereochemistry and functional groups. It features a glucopyranosyl moiety, indicating it is a glycoside, which contributes to its solubility and biological activity. The presence of multiple hydroxyl groups suggests potential for hydrogen bonding, enhancing its reactivity and interactions with biological systems. The hexahydrocyclopenta structure indicates a fused ring system, which may influence its conformational stability and overall molecular geometry. This compound may exhibit various pharmacological properties, potentially acting as a natural product with applications in medicinal chemistry. Its specific stereochemistry is crucial for its biological activity, as the orientation of functional groups can significantly affect interactions with biological targets. Overall, this compound represents a class of natural products that may have implications in drug development and therapeutic applications.

Formula:C₁₇H₂₆O₁₁

InChI:InChI=1/C17H26O11/c1-17(24)3-7(19)9-6(14(23)25-2)5-26-15(10(9)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5,7-13,15-16,18-22,24H,3-4H2,1-2H3/t7-,8-,9+,10-,11-,12+,13-,15+,16+,17+/m1/s1

InChI key:KKSYAZCUYVRKML-IRDZEPHTSA-N

SMILES:C[C@@]1(C[C@H]([C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O

Synonyms:

cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5,7-dihydroxy-7-methyl-, methyl ester, (1S,4aS,5R,7S,7aS)-
Shanzhiside Methyl Ester
methyl (1S,5R,7S)-1-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
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
(1S)-1α-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-5α,7α-dihydroxy-7β-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester
Flavonoids Duyiwei
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
1α-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-5α,7α-dihydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester
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)-
Shaniside methyl ester
SHANZHISIDE METHYLESTER WITH HPLC
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)-
hanzhiside 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
1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5,7-dihydroxy-7-methyl-, methyl ester, (1S-(1alpha,4aalpha,5alpha,7alpha,7aalpha))
(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
Shanzhiside methyl ester, 98%, from Lamiophlomis rotata (Benth. ex Hook.f.) Kud
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)-1-(beta-D-glucopyranosyloxy)-5,7-d...
(1S)-1α-(β-D-Glucopyranosyloxy)-5α,7α-dihydroxy-7-methyl-1,4aα,5,6,7,7aα-hexahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester
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