Cas no 18178-54-6 ((-)-rishitin)

(-)-rishitin structure
(-)-rishitin structure
Product Name:(-)-rishitin
CAS No:18178-54-6
MF:C14H22O2
MW:222.323284626007
CID:2056706
PubChem ID:108064
Update Time:2025-04-21

(-)-rishitin Chemical and Physical Properties

Names and Identifiers

    • (-)-rishitin
    • Rishitin
    • 7-Isopropenyl-1-methyl-1,2,3,4,5,6,7,8-octahydro-2,3-naphthalenediol #
    • XSCYYIVXGBKTOC-UHFFFAOYSA-N
    • DTXSID60171184
    • C09715
    • 18178-54-6
    • Risbitin
    • UNII-FQY1K3HR10
    • (1alpha,2beta,3alpha,7beta)-(-)-1,2,3,4,5,6,7,8-Octahydro-1-methyl-7-(1-methylethenyl)-2,3-naphthalenediol
    • Q27108165
    • 7-Isopropenyl-1-methyl-1,2,3,4,5,6,7,8-octahydro-2,3-naphthalenediol
    • FQY1K3HR10
    • CHEBI:8870
    • SCHEMBL1840048
    • (1S,2R,3R,7R)-7-isopropenyl-1-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,3-diol
    • rel-(1R,2S,3S,7S)-7-isopropenyl-1-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,3-diol
    • InChI=1/C14H22O2/c1-8(2)10-4-5-11-7-13(15)14(16)9(3)12(11)6-10/h9-10,13-16H,1,4-7H2,2-3H3/t9-,10+,13+,14+/m0/s
    • (1S,2R,3R,7R)-1-methyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,3-diol
    • 7-isopropenyl-1-methyl-1,2,3,4,5,6,7,8-octahydro-naphthalene-2,3-diol
    • 2,3-Naphthalenediol, 1,2,3,4,5,6,7,8-octahydro-1-methyl-7-(1-methylethenyl)-, (1alpha,2beta,3alpha,7beta)-(-)-
    • 2,3-Naphthalenediol, 1,2,3,4,5,6,7,8-octahydro-1-methyl-7-(1-methylethenyl)-, (1S,2R,3R,7R)-
    • DTXCID6093675
    • Inchi： 1S/C14H22O2/c1-8(2)10-4-5-11-7-13(15)14(16)9(3)12(11)6-10/h9-10,13-16H,1,4-7H2,2-3H3/t9-,10+,13+,14+/m0/s1
    • InChI Key： XSCYYIVXGBKTOC-GZZJDILISA-N
    • SMILES： O[C@H]1[C@@H](CC2CC[C@@H](C(=C)C)CC=2[C@@H]1C)O

Computed Properties

  • Exact Mass: 222.161979940g/mol
  • Monoisotopic Mass: 222.161979940g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 330
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.9
  • Topological Polar Surface Area: 40.5?2

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