Cas no 76045-51-7 ((+)-brothenolide)

(+)-brothenolide structure
(+)-brothenolide structure
Product Name:(+)-brothenolide
CAS No:76045-51-7
MF:C15H20O2
MW:232.318104743958
CID:2000323
Update Time:2025-03-10

(+)-brothenolide Chemical and Physical Properties

Names and Identifiers

    • (+)-brothenolide
    • brothenolide
    • 3aα,4,5,5a,6,6aβ,7,7a,7bα,7cα-Decahydro-5aβ,7aβ-dimethyl-3-methylenecycloprop[2,3]indeno[4,5-b]furan-2(3H)-one
    • (3aR,5aR,6aS,7aS,7bS,7cS)-Decahydro-5a,7a-dimethyl-3-methylenecycloprop[2,3]indeno[4,5-b]furan-2(3H)-one
    • Cycloprop[2,3]indeno[4,5-b]furan-2(3H)-one, decahydro-5a,7a-dimethyl-3-methylene-, (3aR,5aR,6aS,7aS,7bS,7cS)-
    • Inchi： 1S/C15H20O2/c1-8-10-4-5-14(2)6-9-7-15(9,3)12(14)11(10)17-13(8)16/h9-12H,1,4-7H2,2-3H3/t9-,10+,11-,12+,14-,15+/m1/s1
    • InChI Key： TVQQAFUTFFHGNO-NJTCAMEISA-N
    • SMILES： [C@@H]12[C@@]3(C)C[C@H]3C[C@@]1(C)CC[C@H]1C(=C)C(=O)O[C@H]12

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • XLogP3: 4.027

Experimental Properties

  • Density: 1.14±0.1 g/cm3(Predicted)
  • Boiling Point: 353.8±11.0 °C(Predicted)

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