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
CAS Registry Number®
1246012-26-9
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CAS 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-carboxylateMolecular Formula
C26H32O13Molecular Mass
552.52Cite this Page
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. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1246012-26-9 (retrieved ) (CAS RN: 1246012-26-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
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
InChIKey
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]
Canonical SMILES
O=C(OC1CC(O)(C)C2C(OC=C(C(=O)OC)C12)OC3OC(CO)C(O)C(O)C3O)C=CC4=CC=C(O)C=C4
Other Names for this Substance
- 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)-
- 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
- 6-O-trans-p-Coumaroylshanzhiside methyl ester
