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Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-7-((((2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl)oxy)methyl)-, (1S,4aS,7R,7aS)-

Base Information
  • Chemical Name:Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-7-((((2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl)oxy)methyl)-, (1S,4aS,7R,7aS)-
  • CAS No.:75044-72-3
  • Molecular Formula:C25H28O13
  • Molecular Weight:536.49
  • Hs Code.:
  • Nikkaji Number:J3.372.060B
  • Wikidata:Q105306984
Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-7-((((2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl)oxy)methyl)-, (1S,4aS,7R,7aS)-

Synonyms:Andromedoside;75044-72-3;Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-7-((((2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl)oxy)methyl)-, (1S,4aS,7R,7aS)-;(1S)-1-(beta-D-Glucopyranosyloxy)-1,4aalpha,7,7aalpha-tetrahydro-7-hydroxy-7alpha-[[(Z)-3-(4-hydroxyphenyl)propenoyl]oxymethyl]cyclopenta[c]pyran-4-carboxylic acid

Suppliers and Price of Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-7-((((2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl)oxy)methyl)-, (1S,4aS,7R,7aS)-
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Chemical Property of Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-7-((((2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl)oxy)methyl)-, (1S,4aS,7R,7aS)-
Chemical Property:
  • Vapor Pressure:8.1E-29mmHg at 25°C 
  • Boiling Point:824.9°Cat760mmHg 
  • Flash Point:278.4°C 
  • Density:1.63g/cm3 
  • XLogP3:-0.8
  • Hydrogen Bond Donor Count:7
  • Hydrogen Bond Acceptor Count:13
  • Rotatable Bond Count:9
  • Exact Mass:536.15299094
  • Heavy Atom Count:38
  • Complexity:955
Purity/Quality:
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MSDS Files:
Useful:
  • Canonical SMILES:C1=CC(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)(COC(=O)C=CC4=CC=C(C=C4)O)O
  • Isomeric SMILES:C1=C[C@@]([C@@H]2[C@H]1C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O)(COC(=O)/C=C\C4=CC=C(C=C4)O)O
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