Cas no 27856-66-2 (2H-Pyran-5-carboxylicacid, 3-ethenyl-3,4-dihydro-4-(2-oxoethyl)-2-[(2,3,4,6-tetra-O-acetyl-b-D-glucopyranosyl)oxy]-, methylester, (2S,3R,4S)-)

2H-Pyran-5-carboxylicacid, 3-ethenyl-3,4-dihydro-4-(2-oxoethyl)-2-[(2,3,4,6-tetra-O-acetyl-b-D-glucopyranosyl)oxy]-, methylester, (2S,3R,4S)- structure
27856-66-2 structure
Product Name:2H-Pyran-5-carboxylicacid, 3-ethenyl-3,4-dihydro-4-(2-oxoethyl)-2-[(2,3,4,6-tetra-O-acetyl-b-D-glucopyranosyl)oxy]-, methylester, (2S,3R,4S)-
CAS No:27856-66-2
MF:C25H32O14
MW:556.513189315796
CID:268951
PubChem ID:179500
Update Time:2025-04-19

2H-Pyran-5-carboxylicacid, 3-ethenyl-3,4-dihydro-4-(2-oxoethyl)-2-[(2,3,4,6-tetra-O-acetyl-b-D-glucopyranosyl)oxy]-, methylester, (2S,3R,4S)- Chemical and Physical Properties

Names and Identifiers

    • 2H-Pyran-5-carboxylicacid, 3-ethenyl-3,4-dihydro-4-(2-oxoethyl)-2-[(2,3,4,6-tetra-O-acetyl-b-D-glucopyranosyl)oxy]-, methylester, (2S,3R,4S)-
    • 2H-Pyran-5-carboxylicacid, 3-ethenyl-3,4-dihydro-4-(2-oxoethyl)-2-[(2,3,4,6-tetra-O-acetyl-b-D-glucopyranosyl)oxy]-, methyles
    • O',O',O',O'-tetraacetylsecologanin
    • 27856-66-2
    • Methyl 3-ethenyl-4-(2-oxoethyl)-2-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]-3,4-dihydro-2H-pyran-5-carboxylate
    • Loniceroside, tetraacetate
    • methyl 3-ethenyl-4-(2-oxoethyl)-2-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
    • Secologanin tetraacetate
    • Tetraacetylsecologanin
    • DTXSID40950530
    • O,O,O,O-Tetraacetylsecologanin
    • Inchi： 1S/C25H32O14/c1-7-16-17(8-9-26)18(23(31)32-6)10-34-24(16)39-25-22(37-15(5)30)21(36-14(4)29)20(35-13(3)28)19(38-25)11-33-12(2)27/h7,9-10,16-17,19-22,24-25H,1,8,11H2,2-6H3/t16?,17?,19-,20-,21+,22-,24?,25+/m1/s1
    • InChI Key： XQVQOVDNWBXCHM-FYXMLKLGSA-N
    • SMILES： O1[C@H](COC(C)=O)[C@H]([C@@H]([C@H]([C@@H]1OC1C(C=C)C(CC=O)C(C(=O)OC)=CO1)OC(C)=O)OC(C)=O)OC(C)=O

Computed Properties

  • Exact Mass: 556.179
  • Monoisotopic Mass: 556.179
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 39
  • Rotatable Bond Count: 16
  • Complexity: 987
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.1
  • Topological Polar Surface Area: 176?2

Experimental Properties

  • Color/Form: Solid powder
  • Density: 1.31
  • Boiling Point: 608°Cat760mmHg
  • Flash Point: 255.9°C
  • Refractive Index: 1.515

2H-Pyran-5-carboxylicacid, 3-ethenyl-3,4-dihydro-4-(2-oxoethyl)-2-[(2,3,4,6-tetra-O-acetyl-b-D-glucopyranosyl)oxy]-, methylester, (2S,3R,4S)- Security Information

  • Signal Word：Warning
  • Storage Condition：Dry, dark and store at 0-4℃ for short term (days to weeks) or -20℃ for long term (Store correctly 2-3years).

2H-Pyran-5-carboxylicacid, 3-ethenyl-3,4-dihydro-4-(2-oxoethyl)-2-[(2,3,4,6-tetra-O-acetyl-b-D-glucopyranosyl)oxy]-, methylester, (2S,3R,4S)- Related Literature

Related Categories

27856-66-2 (2H-Pyran-5-carboxylicacid, 3-ethenyl-3,4-dihydro-4-(2-oxoethyl)-2-[(2,3,4,6-tetra-O-acetyl-b-D-glucopyranosyl)oxy]-, methylester, (2S,3R,4S)-) Related Products

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