CAS 1246012-26-9

Methyl (1S,4aS,5R,7S,7aS)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-hydroxy-5-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-7-methylcyclopenta[c]pyran-4-carboxylate

Description:

The chemical substance with the name "Methyl (1S,4aS,5R,7S,7aS)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-hydroxy-5-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-7-methylcyclopenta[c]pyran-4-carboxylate" and CAS number 1246012-26-9 is a complex organic compound characterized by its intricate molecular structure, which includes multiple stereocenters and functional groups. This substance features a glucopyranosyl moiety, indicating it is a glycoside, which typically enhances solubility and biological activity. The presence of a cyclopenta[c]pyran framework suggests potential applications in medicinal chemistry, particularly due to its structural similarity to various bioactive natural products. The compound also contains hydroxyl groups, which can participate in hydrogen bonding, influencing its solubility and reactivity. Additionally, the presence of a phenyl group linked to an α,β-unsaturated carbonyl system may contribute to its potential as a pharmacophore. Overall, this compound's unique structural features may confer specific biological activities, making it of interest for further research in fields such as pharmacology and biochemistry.

Formula: C₂₆H₃₂O₁₃

InChI: InChI=1S/C26H32O13/c1-26(34)9-15(37-17(29)8-5-12-3-6-13(28)7-4-12)18-14(23(33)35-2)11-36-24(19(18)26)39-25-22(32)21(31)20(30)16(10-27)38-25/h3-8,11,15-16,18-22,24-25,27-28,30-32,34H,9-10H2,1-2H3/b8-5+/t15-,16-,18+,19-,20-,21+,22-,24+,25+,26+/m1/s1

InChI key: InChIKey=ZGUUHRZMAAUFHL-OKHNFGPGSA-N

SMILES: O(C(/C=C/C1=CC=C(O)C=C1)=O)[C@H]2[C@]3([C@]([C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C3C(OC)=O)([C@@](C)(O)C2)[H])[H]

Synonyms:

• 6-O-trans-p-Coumaroylshanzhiside methyl ester
• Methyl (1S,4aS,5R,7S,7aS)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-hydroxy-5-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-7-methylcyclopenta[c]pyran-4-carboxylate
• Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-hydroxy-5-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-7-methyl-, methyl ester, (1S,4aS,5R,7S,7aS)-
• 6-O-TRANS-P-COUMAROYLSHANZHISIDE

6-O-trans-p-Coumaroylshanzhiside methyl ester

CAS: 1246012-26-9

Formula: C₂₆H₃₂O₁₃

Purity: 95%~99%

Color and Shape: Powder

Molecular weight: 552.529

Ref: BP-SBP00988

6-o-Trans-p-coumaroylshanzhiside methyl ester

CAS: 1246012-26-9

6-o-Trans-p-coumaroylshanzhiside methyl ester is a phenolic glycoside, which is a specialized type of natural compound derived primarily from certain medicinal plants. This compound originates from the rich diversity of phytochemicals found within Lamiaceae family members, known for their health-promoting benefits.

Formula: C₂₆H₃₂O₁₃

Purity: Min. 95%

Molecular weight: 552.5 g/mol

Ref: 3D-WZB01226