Cas no 54954-12-0 (Norswertianolin)

Norswertianolin structure
Norswertianolin structure
Product Name:Norswertianolin
CAS No:54954-12-0
MF:C19H18O11
MW:422.339626789093
CID:369121
PubChem ID:5281659
Update Time:2025-04-19

Norswertianolin Chemical and Physical Properties

Names and Identifiers

    • 9H-Xanthen-9-one, 8-(b-D-glucopyranosyloxy)-1,3,5-trihydroxy-
    • Norswertianolin
    • 8-(beta-D-Glucopyranosyloxy)-1,3,5-trihydroxy-9H-xanthen-9-one
    • bellidin-8-O-beta-D-glucopyranoside
    • 1,3,5-trihydroxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
    • 4,6,8-trihydroxy-9-oxo-9H-xanthen-1-yl beta-D-glucopyranoside
    • 3,5,8-Trihydroxyxanthone-1-O-glucoside
    • 9H-Xanthen-9-one, 8-(beta-D-glucopyranosyloxy)-1,3,5-trihydroxy-
    • Q27089366
    • 1,3,5-Trihydroxy-8-(((2S,3R,4S,5S,6R)-3,4,5-trihyd
    • CHEMBL512072
    • Demethylbellidifolin-8-O-glucoside
    • MS-27410
    • HY-N6617
    • SCHEMBL23782036
    • AKOS040758190
    • 3-O-Demethylbellidifolin 8-O-beta-D-glucopyranoside
    • 1,3,5-trihydroxy-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H-xanthen-9-one
    • 8-O-Glucosyldesmethylbellidifolin
    • CCRIS 5473
    • 54954-12-0
    • CHEBI:7638
    • E88785
    • DTXSID70203480
    • CS-0034378
    • 1,3,5-Trihydroxy-8-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-9H-xanthen-9-one
    • 8FEU38L6GD
    • 1,3,5,8-Tetrahydroxyxanthen-9-one 8-glucoside
    • 1,3,5-Trihydroxyxanthone 8-O-beta-D-glucopyranoside
    • 1,3,5-trihydroxy-8-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyxanthen-9-one
    • DTXCID70125971
    • BDBM50611850
    • DA-56262
    • Inchi: 1S/C19H18O11/c20-5-11-14(24)16(26)17(27)19(30-11)29-9-2-1-7(22)18-13(9)15(25)12-8(23)3-6(21)4-10(12)28-18/h1-4,11,14,16-17,19-24,26-27H,5H2/t11-,14-,16+,17-,19-/m1/s1
    • InChI Key: MYWLBRTZOYHDOU-FJMCMGCSSA-N
    • SMILES: O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)OC1=CC=C(C2=C1C(C1C(=CC(=CC=1O2)O)O)=O)O

Computed Properties

  • Exact Mass: 422.08500
  • Monoisotopic Mass: 422.08491139 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 3
  • Complexity: 632
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.3
  • Topological Polar Surface Area: 186
  • Molecular Weight: 422.3

Experimental Properties

  • Density: 1.789
  • Boiling Point: 833.7°C at 760 mmHg
  • Flash Point: 300.4°C
  • Refractive Index: 1.757
  • PSA: 190.28000
  • LogP: -0.75830

Norswertianolin Pricemore >>

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