Cas no 82209-72-1 (Andropanoside)

Andropanoside structure
Andropanoside structure
Product Name:Andropanoside
CAS No:82209-72-1
MF:C26H40O9
MW:496.59040927887
CID:724307
PubChem ID:44575270
Update Time:2024-10-27

Andropanoside Chemical and Physical Properties

Names and Identifiers

    • 2(5H)-Furanone,3-[2-[(1R,4aS,5R,6R,8aS)-5-[(b-D-glucopyranosyloxy)methyl]decahydro-6-hydroxy-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-
    • Andropanoside
    • 2(5H)-Furanone,3-[2-[(1R,4aS,5R,6R,8aS)-5-[(b-D-glucopyranosyloxy)methyl]decahydro-6-hydroxy-5,8a-dimethyl-2-methylene-1-naph
    • 2(5H)-Furanone,3-[2-[(1R,4aS,5R,6R,8aS)-5-[(b-D-glucopyranosyloxy)methyl]decahydro-6-hydroxy-5...
    • Ninandrographolide
    • 14-Deoxyandrographoside
    • [ "14-Deoxyandrographoside" ]
    • 2(5H)-Furanone, 3-[2-[5-[(β-D-glucopyranosyloxy)methyl]decahydro-6-hydroxy-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-, [1R-(1α,4aβ,5α,6α,8aα)]- (ZCI)
    • 3-[2-[(1R,4aS,5R,6R,8aS)-5-[(β-D-Glucopyranosyloxy)methyl]decahydro-6-hydroxy-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-2(5H)-furanone (ACI)
    • 14-Deoxyandrographiside
    • Deoxyandrographiside
    • Q27295134
    • FS-9248
    • Z87B39FVT4
    • 4-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
    • HY-N2868
    • 82209-72-1
    • (-)-NINANDROGRAPHOLIDE
    • 2(5H)-FURANONE, 3-(2-((1R,4AS,5R,6R,8AS)-5-((.BETA.-D-GLUCOPYRANOSYLOXY)METHYL)DECAHYDRO-6-HYDROXY-5,8A-DIMETHYL-2-METHYLENE-1-NAPHTHALENYL)ETHYL)-
    • CS-0023447
    • AKOS032948876
    • UNII-Z87B39FVT4
    • CHEMBL482237
    • 2(5H)-FURANONE, 3-(2-(5-((.BETA.-D-GLUCOPYRANOSYLOXY)METHYL)DECAHYDRO-6-HYDROXY-5,8A-DIMETHYL-2-METHYLENE-1-NAPHTHALENYL)ETHYL)-, (1R-(1.ALPHA.,4A.BETA.,5.ALPHA.,6.ALPHA.,8A.ALPHA.))-
    • 2(5H)-Furanone, 3-(2-(5-((beta-D-glucopyranosyloxy)methyl)decahydro-6-hydroxy-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethyl)-, (1R-(1alpha,4abeta,5alpha,6alpha,8aalpha))-
    • DA-61053
    • Inchi: 1S/C26H40O9/c1-14-4-7-18-25(2,16(14)6-5-15-9-11-33-23(15)32)10-8-19(28)26(18,3)13-34-24-22(31)21(30)20(29)17(12-27)35-24/h9,16-22,24,27-31H,1,4-8,10-13H2,2-3H3/t16-,17-,18+,19-,20-,21+,22-,24-,25+,26+/m1/s1
    • InChI Key: MEEPUSVTMHGIPC-MVGASCEISA-N
    • SMILES: C[C@]12[C@H](CCC3=CCOC3=O)C(=C)CC[C@@H]1[C@]([C@@H](CC2)O)(C)CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1

Computed Properties

  • Exact Mass: 496.26700
  • Monoisotopic Mass: 496.26723285 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 7
  • Complexity: 843
  • 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
  • Molecular Weight: 496.6
  • XLogP3: 1.3
  • Topological Polar Surface Area: 146

Experimental Properties

  • Color/Form: Powder
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 704.6±60.0 °C at 760 mmHg
  • Flash Point: 232.7±26.4 °C
  • PSA: 145.91000
  • LogP: 0.81600
  • Vapor Pressure: 0.0±5.1 mmHg at 25°C

Andropanoside Security Information

Andropanoside Pricemore >>

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