Cas no 15591-75-0 (2-Butenoic acid,2-methyl-,(8S,9R)-8-[1-(acetyloxy)-1-methylethyl]-8,9-dihydro-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-ylester, (2Z)-)

2-Butenoic acid,2-methyl-,(8S,9R)-8-[1-(acetyloxy)-1-methylethyl]-8,9-dihydro-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-ylester, (2Z)- structure
15591-75-0 structure
Product Name:2-Butenoic acid,2-methyl-,(8S,9R)-8-[1-(acetyloxy)-1-methylethyl]-8,9-dihydro-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-ylester, (2Z)-
CAS No:15591-75-0
MF:C21H22O7
MW:386.395186901093
CID:163792
PubChem ID:5317013
Update Time:2025-04-19

2-Butenoic acid,2-methyl-,(8S,9R)-8-[1-(acetyloxy)-1-methylethyl]-8,9-dihydro-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-ylester, (2Z)- Chemical and Physical Properties

Names and Identifiers

    • 2-Butenoic acid,2-methyl-,(8S,9R)-8-[1-(acetyloxy)-1-methylethyl]-8,9-dihydro-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-ylester, (2Z)-
    • Cnidimine,Edultin
    • Edultin, 8-(1-Acetoxy-isopropyl)-9-angeloyloxy-8,9-dihydro-2H-furo<2,3-h>-1-benzopyran
    • Edultin
    • Cnidimine
    • [(8S,9R)-8-(2-acetyloxypropan-2-yl)-2-oxo-8,9-dihydrouro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate
    • MLS000574916
    • 15591-75-0
    • CHEMBL1302068
    • [(8S,9R)-8-(2-acetyloxypropan-2-yl)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate
    • CHEBI:175917
    • HMS2224K16
    • Q-100934
    • SMR000156218
    • Cnidimin
    • (Z)-(8S,9R)-8-(2-Acetoxypropan-2-yl)-2-oxo-8,9-dihydro-2H-furo[2,3-h]chromen-9-yl 2-methylbut-2-enoate
    • Libanotin
    • (Z)-Cnidimine
    • 2-Butenoic acid, 2-methyl-, (8S,9R)-8-[1-(acetyloxy)-1-methylethyl]-8,9-dihydro-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-yl ester, (2Z)
    • FFCDTHIJWHJUQJ-WDZFZDKYSA-N
    • Inchi： 1S/C21H22O7/c1-6-11(2)20(24)27-18-16-14(25-19(18)21(4,5)28-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6-/t18-,19+/m1/s1
    • InChI Key： FFCDTHIJWHJUQJ-JZWAJAMXSA-N
    • SMILES： O1C2C=CC3C=CC(=O)OC=3C=2[C@H]([C@H]1C(C)(C)OC(C)=O)OC(/C(=C\C)/C)=O

Computed Properties

  • Exact Mass: 386.13656
  • Monoisotopic Mass: 386.13655304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 6
  • Complexity: 720
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 88.1?2

Experimental Properties

  • PSA: 88.13

2-Butenoic acid,2-methyl-,(8S,9R)-8-[1-(acetyloxy)-1-methylethyl]-8,9-dihydro-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-ylester, (2Z)- Related Literature

Related Categories

15591-75-0 (2-Butenoic acid,2-methyl-,(8S,9R)-8-[1-(acetyloxy)-1-methylethyl]-8,9-dihydro-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-ylester, (2Z)-) Related Products

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