Cas no 96420-61-0 (Forsythin)

Forsythin structure
Forsythin structure
Product Name:Forsythin
CAS No:96420-61-0
MF:C20H27NO11
MW:457.428487062454
CID:800281
PubChem ID:34751
Update Time:2025-04-19

Forsythin Chemical and Physical Properties

Names and Identifiers

    • Forsythin
    • A0443
    • Vitamin B17
    • D-Amygdalin hydrate
    • KBio1_000106
    • amygdalin
    • Spectrum4_001750
    • Spectrum2_000904
    • NCGC00178377-01
    • BRD-A59552297-001-02-5
    • DivK1c_000106
    • D(-)-Amygdalin
    • Spectrum_001192
    • D-Amygdalin 100 microg/mL in Acetonitrile
    • 2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-acetonitrile
    • 96420-61-0
    • AKOS032949559
    • Amygdalin,(S)
    • DL-Amygdalin
    • IDI1_000106
    • Amygdalin, from apricot kernels, >=99%
    • Mandelonitrile-beta-gentiobioside
    • 51371-34-7
    • SPBio_000748
    • MFCD00866428
    • SDCCGMLS-0066722.P001
    • CHEBI:27613
    • 6-O-BETA-D-GLUCOSIDO-BETA-D-GLUCOSIDE
    • HMS500F08
    • KBioSS_001672
    • Amygdaloside
    • Benzeneacetonitrile, alpha-[(6-O-.beta.-D-glucopyransoyl-.beta.-D-glucopyranosyl)oxy]-, (RS)-
    • D(-)-Amygdalin hydrate
    • Spectrum3_001534
    • SR-05000002154-2
    • KBio2_006808
    • SCHEMBL131407
    • NINDS_000106
    • NCGC00178377-02
    • [(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy](phenyl)acetonitrile
    • Amygdalin, BioXtra, >=97.0% (HPLC)
    • DTXSID001031434
    • SR-05000002154
    • Q27103225
    • CCG-39554
    • 29883-15-6
    • BRD-A59552297-001-03-3
    • 2-phenyl-2-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)methyl)tetrahydro-2H-pyran-2-yloxy)acetonitrile
    • BSPBio_002948
    • NSC251222
    • KBio3_002448
    • AS-14698
    • SPECTRUM1502244
    • Spectrum5_000580
    • KBioGR_002200
    • D-Mandelonitrile 6-O-beta-D-glucosido-beta-D-glucoside
    • 2-phenyl-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)acetonitrile
    • HMS1921N18
    • KBio2_004240
    • 2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile
    • CHEMBL515712
    • D-Amygdalin
    • KBio2_001672
    • Inchi: 1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10?,11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1
    • InChI Key: XUCIJNAGGSZNQT-SWRVSKMJSA-N
    • SMILES: O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O)O)OC(C#N)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 457.15841068g/mol
  • Monoisotopic Mass: 457.15841068g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 7
  • Complexity: 638
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -2.7
  • Topological Polar Surface Area: 202?2

Experimental Properties

  • Melting Point: 181 oC
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