Cas no 2221-62-7 (2',3'-dihydro-jatamansin)

2',3'-dihydro-jatamansin structure
2',3'-dihydro-jatamansin structure
Product Name:2',3'-dihydro-jatamansin
CAS No:2221-62-7
MF:C19H22O5
MW:330.374986171722
CID:2065857
PubChem ID:71359063
Update Time:2025-04-21

2',3'-dihydro-jatamansin Chemical and Physical Properties

Names and Identifiers

    • 8,8-dimethyl-9-(2-methyl-butyryloxy)-9,10-dihydro-8H-pyrano[2,3-f]chromen-2-one
    • Dihydrojatamansin
    • Dihydroselenidin
    • [(9S)-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl] 2-methylbutanoate
    • 2',3'-dihydro-jatamansin
    • 2221-62-7
    • (9S)-8,8-Dimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl 2-methylbutanoate
    • DTXSID40782939
    • Inchi: 1S/C19H22O5/c1-5-11(2)18(21)22-15-10-13-14(24-19(15,3)4)8-6-12-7-9-16(20)23-17(12)13/h6-9,11,15H,5,10H2,1-4H3
    • InChI Key: SNISDAOCVKRKNG-UHFFFAOYSA-N
    • SMILES: CCC(C(OC1C(C)(C)OC2C=CC3=C(C=2C1)OC(=O)C=C3)=O)C

Computed Properties

  • Exact Mass: 330.14672380Da
  • Monoisotopic Mass: 330.14672380Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 4
  • Complexity: 538
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.912
  • Topological Polar Surface Area: 61.8?2
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