Cas no 29118-80-7 (Cyclopenta[c]pyran-4-carboxylic acid,1-(â-D-glucopyranosyloxy)-1,4a,5,6,7,- 7a-hexahydro-7-methyl-6-oxo-,2-(4- hydroxyphenyl)ethyl ester,(1S,4aS,7R,7aS)-)

Cyclopenta[c]pyran-4-carboxylic acid,1-(â-D-glucopyranosyloxy)-1,4a,5,6,7,- 7a-hexahydro-7-methyl-6-oxo-,2-(4- hydroxyphenyl)ethyl ester,(1S,4aS,7R,7aS)- structure
29118-80-7 structure
Product Name:Cyclopenta[c]pyran-4-carboxylic acid,1-(â-D-glucopyranosyloxy)-1,4a,5,6,7,- 7a-hexahydro-7-methyl-6-oxo-,2-(4- hydroxyphenyl)ethyl ester,(1S,4aS,7R,7aS)-
CAS No:29118-80-7
MF:C24H30O11
MW:494.488408565521
CID:284497
PubChem ID:161619
Update Time:2025-04-19

Cyclopenta[c]pyran-4-carboxylic acid,1-(â-D-glucopyranosyloxy)-1,4a,5,6,7,- 7a-hexahydro-7-methyl-6-oxo-,2-(4- hydroxyphenyl)ethyl ester,(1S,4aS,7R,7aS)- Chemical and Physical Properties

Names and Identifiers

    • -D-glucopyranosyloxy)-1,4a,5,6,7,- 7a-hexahydro-7-methyl-6-oxo-,2-(4- hydroxyp
    • -D-glucopyranosyloxy)-1,4a,5,6,7,- 7a-hexahydro-7-methyl-6-oxo-,2-(4- hydroxyphenyl)ethyl ester,(1S,4aS,7R,7aS)-
    • 2-(4-hydroxyphenyl)ethyl (1S,4aS,7R,7aS)-7-methyl-6-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
    • D6GNZ26JMY
    • AKOS040763714
    • Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-6-oxo-, 2-(4-hydroxyphenyl)ethyl ester, (1S,4aS,7R,7aS)-
    • Syringopicroside
    • Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-6-oxo-, 2-(4-hydroxyphenyl)ethyl ester, (1S-(1alpha,4aalpha,7alpha,7aalpha))-
    • 2-(4-hydroxyphenyl)ethyl (1S,4aS,7R,7aS)-7-methyl-6-oxo-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylate
    • 2-(4-hydroxyphenyl)ethyl (1S, 4aS, 7R, 7aS)-7-methyl-6-oxo-1-[(2S, 3R, 4S, 5S, 6R)-3, 4, 5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a, 5, 7, 7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
    • DTXSID80951708
    • 2-(4-Hydroxyphenyl)ethyl 1-(hexopyranosyloxy)-7-methyl-6-oxo-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
    • Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-6-oxo-, 2-(4-hydroxyphenyl)ethyl ester, [1S-(1alpha,4aalpha,7alpha,7aalpha)]-
    • 4-hydroxyphenethyl (1S,4aS,7R,7aS)-7-methyl-6-oxo-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
    • 29118-80-7
    • Cyclopenta[c]pyran-4-carboxylic acid,1-(â-D-glucopyranosyloxy)-1,4a,5,6,7,- 7a-hexahydro-7-methyl-6-oxo-,2-(4- hydroxyphenyl)ethyl ester,(1S,4aS,7R,7aS)-
    • Inchi： 1S/C24H30O11/c1-11-16(27)8-14-15(22(31)32-7-6-12-2-4-13(26)5-3-12)10-33-23(18(11)14)35-24-21(30)20(29)19(28)17(9-25)34-24/h2-5,10-11,14,17-21,23-26,28-30H,6-9H2,1H3/t11-,14+,17+,18+,19+,20-,21+,23-,24-/m0/s1
    • InChI Key： VBXLWOOOZVFVNF-MUNFHUKUSA-N
    • SMILES： O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)[C@H]1[C@@H]2[C@@H](C)C(C[C@@H]2C(C(=O)OCCC2C=CC(=CC=2)O)=CO1)=O

Computed Properties

  • Exact Mass: 494.178812
  • Monoisotopic Mass: 494.178812
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 8
  • Complexity: 792
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 172
  • XLogP3: -0.1

Experimental Properties

  • Density: 1.49
  • Boiling Point: 756.9°C at 760 mmHg
  • Flash Point: 257.5°C
  • Refractive Index: 1.635

Cyclopenta[c]pyran-4-carboxylic acid,1-(â-D-glucopyranosyloxy)-1,4a,5,6,7,- 7a-hexahydro-7-methyl-6-oxo-,2-(4- hydroxyphenyl)ethyl ester,(1S,4aS,7R,7aS)- Related Literature

Related Categories

29118-80-7 (Cyclopenta[c]pyran-4-carboxylic acid,1-(â-D-glucopyranosyloxy)-1,4a,5,6,7,- 7a-hexahydro-7-methyl-6-oxo-,2-(4- hydroxyphenyl)ethyl ester,(1S,4aS,7R,7aS)-) Related Products

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