Cas no 70578-36-8 (Shizukanolide)

Shizukanolide structure
Shizukanolide structure
Product Name:Shizukanolide
CAS No:70578-36-8
MF:C15H18O2
MW:230.302224636078
CID:975347
PubChem ID:333362
Update Time:2025-04-19

Shizukanolide Chemical and Physical Properties

Names and Identifiers

    • (4aS)-4aα,5,5aα,6,6aα,6b,7,7aβ-Octahydro-3,6bβ-dimethyl-5-methylenecycloprop[2,3]indeno[5,6-b]furan-2(4H)-one
    • Shizukanolide
    • (4aS,5aS,6aR,6bS,7aS)-3,6b-dimethyl-5-methylene-4,4a,5,5a,6,6a,7,7a-octahydrocyclopropa[2,3]indeno[5,6-b]furan-2(6bH)-one
    • AC1L7D4C
    • CHLORANTHUS JAPONICUS SIEB
    • NSC334032
    • Shizukanolid
    • shizukanolide A
    • DTXSID50318687
    • AKOS040734482
    • NSC-334032
    • 70578-36-8
    • CHEMBL3889973
    • (1S,7S,9S,10R,12S)-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]tridec-3-en-5-one
    • CS-0637551
    • HY-N10912
    • Inchi: 1S/C15H18O2/c1-7-9-4-12(9)15(3)6-13-10(5-11(7)15)8(2)14(16)17-13/h9,11-13H,1,4-6H2,2-3H3/t9-,11+,12-,13+,15-/m1/s1
    • InChI Key: KCFCNCALMYTQMP-BJEMGHAFSA-N
    • SMILES: O1C(C(C)=C2[C@@H]1C[C@]1(C)[C@@H](C2)C(=C)[C@H]2C[C@@H]12)=O

Computed Properties

  • Exact Mass: 230.13074
  • Monoisotopic Mass: 230.131
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 0
  • Complexity: 487
  • 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: 2.1
  • Topological Polar Surface Area: 26.3
  • Molecular Weight: 230.30

Experimental Properties

  • Color/Form: Powder
  • Density: 1.17
  • Boiling Point: 381.4°C at 760 mmHg
  • Flash Point: 160.2°C
  • Refractive Index: 1.57
  • PSA: 26.3
  • LogP: 2.85050
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