Cas no 81203-55-6 (Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,5-dihydroxy-7-methyl-,methyl ester, (1S,4aR,5R,7R,7aR)-)

Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,5-dihydroxy-7-methyl-,methyl ester, (1S,4aR,5R,7R,7aR)- structure
81203-55-6 structure
Product Name:Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,5-dihydroxy-7-methyl-,methyl ester, (1S,4aR,5R,7R,7aR)-
CAS No:81203-55-6
MF:C17H26O11
MW:406.381746768951
CID:722547
PubChem ID:133627
Update Time:2025-04-19

Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,5-dihydroxy-7-methyl-,methyl ester, (1S,4aR,5R,7R,7aR)- Chemical and Physical Properties

Names and Identifiers

    • Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,5-dihydroxy-7-methyl-,methyl ester, (1S,4aR,5R,7R,7aR)-
    • pedicularioside
    • DTXSID601001841
    • Methyl 1-(hexopyranosyloxy)-4a,5-dihydroxy-7-methyl-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-4a,5-dihydroxy-7-methyl-, methyl ester, (1S-(1alpha,4aalpha,5alpha,7beta,7aalpha))-
    • 81203-55-6
    • methyl (1R,4aS,5S,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
    • Inchi： 1S/C17H26O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5-6,8-13,15-16,18-22,24H,3-4H2,1-2H3/t6-,8+,9-,10+,11+,12-,13+,15+,16-,17-/m0/s1
    • InChI Key： MLTZHVBDDNOQNM-KHPHCVDESA-N
    • SMILES： O[C@]12C(C(=O)OC)=CO[C@@H]([C@H]1[C@@H](C)C[C@@H]2O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O

Computed Properties

  • Exact Mass: 406.147512
  • Monoisotopic Mass: 406.147512
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 5
  • Complexity: 624
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 175
  • XLogP3: -1.9

Experimental Properties

  • Density: 1.58
  • Boiling Point: 628.8°C at 760 mmHg
  • Flash Point: 224.3°C
  • Refractive Index: 1.621

Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,5-dihydroxy-7-methyl-,methyl ester, (1S,4aR,5R,7R,7aR)- Related Literature

Related Categories

81203-55-6 (Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,5-dihydroxy-7-methyl-,methyl ester, (1S,4aR,5R,7R,7aR)-) Related Products

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