Cas no 117804-06-5 (Azuleno[4,5-b]furan-2(3H)-one,8-(b-D-glucopyranosyloxy)decahydro-3-hydroxy-3-(hydroxymethyl)-9-methyl-6-methylene-,(3R,3aR,6aR,8S,9S,9aR,9bR)- (9CI))

Azuleno[4,5-b]furan-2(3H)-one,8-(b-D-glucopyranosyloxy)decahydro-3-hydroxy-3-(hydroxymethyl)-9-methyl-6-methylene-,(3R,3aR,6aR,8S,9S,9aR,9bR)- (9CI) structure
117804-06-5 structure
Product Name:Azuleno[4,5-b]furan-2(3H)-one,8-(b-D-glucopyranosyloxy)decahydro-3-hydroxy-3-(hydroxymethyl)-9-methyl-6-methylene-,(3R,3aR,6aR,8S,9S,9aR,9bR)- (9CI)
CAS No:117804-06-5
MF:C21H32O10
MW:444.472787857056
CID:200555
PubChem ID:14138147
Update Time:2025-04-19

Azuleno[4,5-b]furan-2(3H)-one,8-(b-D-glucopyranosyloxy)decahydro-3-hydroxy-3-(hydroxymethyl)-9-methyl-6-methylene-,(3R,3aR,6aR,8S,9S,9aR,9bR)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Azuleno[4,5-b]furan-2(3H)-one,8-(b-D-glucopyranosyloxy)decahydro-3-hydroxy-3-(hydroxymethyl)-9-methyl-6-methylene-,(3R,3aR,6aR,8S,9S,9aR,9bR)- (9CI)
    • Azuleno[4,5-b]furan-2(3H)-one,8-(b-D-glucopyranosyloxy)decahydro-3-hydroxy-3-(hydroxymethyl)-9-methyl-6-methylene-,(3R,3aR,6a
    • 1H-imidaz<wbr>
    • LogP
    • N-propyl-<wbr>
    • 3-hydroxy-3-(hydroxymethyl)-9-methyl-6-methylidene-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6a,7,8,9,9a,9b-octahydro-3aH-azuleno[4,5-b]uran-2-one
    • Cynaroside A
    • 117804-06-5
    • (3R,3aR,6aR,8S,9S,9aR,9bR)-8-(beta-D-Glucopyranosyloxy)decahydro-3-hydroxy-3-(hydroxymethyl)-9-methyl-6-methyleneazuleno[4,5-b]furan-2(3H)-one
    • CHEBI:169162
    • DTXSID001101261
    • Inchi： 1S/C21H32O10/c1-8-3-4-11-18(31-20(27)21(11,28)7-23)14-9(2)12(5-10(8)14)29-19-17(26)16(25)15(24)13(6-22)30-19/h9-19,22-26,28H,1,3-7H2,2H3
    • InChI Key： MVSPYXAIGOWGGA-UHFFFAOYSA-N
    • SMILES： O1C(C(CO)(C2CCC(=C)C3CC(C(C)C3C12)OC1C(C(C(C(CO)O1)O)O)O)O)=O

Computed Properties

  • Exact Mass: 823.13158
  • Monoisotopic Mass: 444.19954721g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 4
  • Complexity: 714
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 12
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.8
  • Topological Polar Surface Area: 166?2

Experimental Properties

  • PSA: 237.64

Azuleno[4,5-b]furan-2(3H)-one,8-(b-D-glucopyranosyloxy)decahydro-3-hydroxy-3-(hydroxymethyl)-9-methyl-6-methylene-,(3R,3aR,6aR,8S,9S,9aR,9bR)- (9CI) Related Literature

Related Categories

117804-06-5 (Azuleno[4,5-b]furan-2(3H)-one,8-(b-D-glucopyranosyloxy)decahydro-3-hydroxy-3-(hydroxymethyl)-9-methyl-6-methylene-,(3R,3aR,6aR,8S,9S,9aR,9bR)- (9CI)) Related Products

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