Cas no 31298-76-7 (2H,4aH-1,4,5-Trioxadicyclopent[a,hi]indene-7-carboxylicacid, 3-ethylidene-3,3a,7a,9b-tetrahydro-2-oxo-, methyl ester,(3Z,3aS,4aR,7aS,9aS,9bS)-)

2H,4aH-1,4,5-Trioxadicyclopent[a,hi]indene-7-carboxylicacid, 3-ethylidene-3,3a,7a,9b-tetrahydro-2-oxo-, methyl ester,(3Z,3aS,4aR,7aS,9aS,9bS)- structure
31298-76-7 structure
Product Name:2H,4aH-1,4,5-Trioxadicyclopent[a,hi]indene-7-carboxylicacid, 3-ethylidene-3,3a,7a,9b-tetrahydro-2-oxo-, methyl ester,(3Z,3aS,4aR,7aS,9aS,9bS)-
CAS No:31298-76-7
MF:C15H14O6
MW:290.268064975739
CID:306323
PubChem ID:5281543
Update Time:2025-04-19

2H,4aH-1,4,5-Trioxadicyclopent[a,hi]indene-7-carboxylicacid, 3-ethylidene-3,3a,7a,9b-tetrahydro-2-oxo-, methyl ester,(3Z,3aS,4aR,7aS,9aS,9bS)- Chemical and Physical Properties

Names and Identifiers

    • 2H,4aH-1,4,5-Trioxadicyclopent[a,hi]indene-7-carboxylicacid, 3-ethylidene-3,3a,7a,9b-tetrahydro-2-oxo-, methyl ester,(3Z,3aS,4aR,7aS,9aS,9bS)-
    • ISOPLUMERICINE
    • 1,3-Benzenedicarboxylic acid,diundecyl ester
    • Isophthalsaeure-diundecylester
    • isoplumericin
    • CHEBI:6042
    • methyl (1S,4S,8R,10S,11Z,14S)-11-ethylidene-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate
    • 31298-76-7
    • CHEMBL463014
    • C09787
    • Q27107001
    • DTXSID801317662
    • Plumericin
    • ConMedNP.1096
    • 77-16-7
    • Inchi： 1S/C15H14O6/c1-3-7-11-15(21-13(7)17)5-4-8-9(12(16)18-2)6-19-14(20-11)10(8)15/h3-6,8,10-11,14H,1-2H3/b7-3-/t8-,10-,11+,14-,15+/m1/s1
    • InChI Key： VFXXNAVZODKBIW-SIEBBUFOSA-N
    • SMILES： O1[C@@H]2[C@H]3[C@@H](C(C(=O)OC)=CO2)C=C[C@]23[C@@H]1/C(=C/C)/C(=O)O2

Computed Properties

  • Exact Mass: 290.07900
  • Monoisotopic Mass: 290.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 2
  • Complexity: 630
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 71.1A^2
  • XLogP3: 0.8

Experimental Properties

  • Density: 1.43
  • Boiling Point: 510.6°C at 760 mmHg
  • Flash Point: 230.5°C
  • Refractive Index: 1.606
  • PSA: 71.06000
  • LogP: 0.84250

2H,4aH-1,4,5-Trioxadicyclopent[a,hi]indene-7-carboxylicacid, 3-ethylidene-3,3a,7a,9b-tetrahydro-2-oxo-, methyl ester,(3Z,3aS,4aR,7aS,9aS,9bS)- Related Literature

Related Categories

31298-76-7 (2H,4aH-1,4,5-Trioxadicyclopent[a,hi]indene-7-carboxylicacid, 3-ethylidene-3,3a,7a,9b-tetrahydro-2-oxo-, methyl ester,(3Z,3aS,4aR,7aS,9aS,9bS)-) Related Products

Recommended suppliers
Enjia Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Enjia Trading Co., Ltd
Inner Mongolia Xinhong Biological Technology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Inner Mongolia Xinhong Biological Technology Co., Ltd
NewCan Biotech Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
NewCan Biotech Limited
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zouping Mingyuan Import and Export Trading Co., Ltd
Nanjing jingzhu bio-technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing jingzhu bio-technology Co., Ltd.