Cas no 26116-89-2 (Rhodojaponin II)

Rhodojaponin II structure
Rhodojaponin II structure
Product Name:Rhodojaponin II
CAS No:26116-89-2
MF:C22H34O7
MW:410.5011677742
CID:262378
Update Time:2025-04-19

Rhodojaponin II Chemical and Physical Properties

Names and Identifiers

    • Grayanotoxane-5,6,10,14,16-pentol,2,3-epoxy-, 6-acetate, (2b,3b,6b,14R)- (9CI)
    • Rhodojaponin II
    • Rhodojaponin-II
    • 5,10,14,16-tetrahydroxy-2,3-epoxygrayanotoxan-6-yl acetate
    • 7,9a-Methano-9aH-cyclopenta(b)heptalene-4,8,11,11a,12(1H)-pentol,2,3-epoxydodecahydro-1,1,4,8-tetramethyl-,11-acetate,(2R,3S,3as,4R,4ar,7R,8R,9as,11R,11aR,12R)
    • N2035
    • [(1R,3S,4S,6R,8S,9R,10S,11R,14R,15R,17S)-4,10,15,17-Tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyc
    • BCP10847
    • Inchi： 1S/C22H34O7/c1-10(23)28-13-8-21-9-19(4,25)11(16(21)24)6-7-12(21)20(5,26)15-14-17(29-14)18(2,3)22(13,15)27/h11-17,24-27H,6-9H2,1-5H3
    • InChI Key： FJISLLRXVSQIES-UHFFFAOYSA-N
    • SMILES： O1C2C(C)(C)C3(C(CC45CC(C)(C(CCC4C(C)(C3C12)O)C5O)O)OC(C)=O)O

Computed Properties

  • Exact Mass: 410.23000
  • Monoisotopic Mass: 410.23045342 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 2
  • Complexity: 768
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 11
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.3
  • Topological Polar Surface Area: 120
  • Molecular Weight: 410.5

Experimental Properties

  • Color/Form: Powder
  • Density: 1.36±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 294.5-296 oC
  • Solubility: Very slightly soluble (0.34 g/l) (25 o C),
  • PSA: 119.75000
  • LogP: 0.75550

Rhodojaponin II Pricemore >>

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