Cas no 37720-87-9 ((14R)-Grayanotoxane-2α,3β,5,6β,10,14,16-heptol)

(14R)-Grayanotoxane-2α,3β,5,6β,10,14,16-heptol structure
37720-87-9 structure
Product Name:(14R)-Grayanotoxane-2α,3β,5,6β,10,14,16-heptol
CAS No:37720-87-9
MF:C20H34O7
MW:386.47976732254
CID:1485701
PubChem ID:11581815
Update Time:2024-03-04

(14R)-Grayanotoxane-2α,3β,5,6β,10,14,16-heptol Chemical and Physical Properties

Names and Identifiers

    • grayanotoxane-2,3,5,6,10,14,16-heptol
    • (14R)-Grayanotoxane-2α,3β,5,6β,10,14,16-heptol
    • Rhodojaponin VI
    • DTXSID50958764
    • BRN 4264514
    • 37720-87-9
    • HDF301Z2JX
    • CHEMBL3763411
    • Grayanotoxane-2,3,5,6,10,14,16-heptol, (2.alpha.,3.beta.,6.beta.,14R)-
    • Q27279871
    • NS00093922
    • UNII-HDF301Z2JX
    • Grayanotoxane-2,3,5,6,10,14,16-heptol, (3-beta,6-beta,14R)-
    • (-)-Rhodomollein XVIII
    • Rhodomollein XVIII
    • Inchi: 1S/C20H34O7/c1-16(2)15(24)12(22)13-18(4,26)10-6-5-9-14(23)19(10,8-17(9,3)25)7-11(21)20(13,16)27/h9-15,21-27H,5-8H2,1-4H3
    • InChI Key: OIRQCTPPDJLTNN-UHFFFAOYSA-N
    • SMILES: OC1(C)C2C(C(C(C)(C)C2(C(CC23CC(C)(C(CCC21)C3O)O)O)O)O)O

Computed Properties

  • Exact Mass: 386.23045342g/mol
  • Monoisotopic Mass: 386.23045342g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 0
  • Complexity: 654
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 11
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.7
  • Topological Polar Surface Area: 142?2

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