Cas no 75680-27-2 (2-Butenoic acid,2-methyl-,(3aR,4R,6R,7S,9S,11aR)-2,3,3a,4,5,6,7,8,9,11a-decahydro-7,9-dihydroxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxy(10Z)-cyclodeca[b]furan-4-ylester, (2Z)-)

2-Butenoic acid,2-methyl-,(3aR,4R,6R,7S,9S,11aR)-2,3,3a,4,5,6,7,8,9,11a-decahydro-7,9-dihydroxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxy(10Z)-cyclodeca[b]furan-4-ylester, (2Z)- structure
75680-27-2 structure
Product Name:2-Butenoic acid,2-methyl-,(3aR,4R,6R,7S,9S,11aR)-2,3,3a,4,5,6,7,8,9,11a-decahydro-7,9-dihydroxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxy(10Z)-cyclodeca[b]furan-4-ylester, (2Z)-
CAS No:75680-27-2
MF:C20H26O7
MW:378.416246891022
CID:575099
PubChem ID:163099941
Update Time:2025-04-19

2-Butenoic acid,2-methyl-,(3aR,4R,6R,7S,9S,11aR)-2,3,3a,4,5,6,7,8,9,11a-decahydro-7,9-dihydroxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxy(10Z)-cyclodeca[b]furan-4-ylester, (2Z)- Chemical and Physical Properties

Names and Identifiers

    • 2-Butenoic acid,2-methyl-,(3aR,4R,6R,7S,9S,11aR)-2,3,3a,4,5,6,7,8,9,11a-decahydro-7,9-dihydroxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxy(10Z)-cyclodeca[b]furan-4-ylester, (2Z)-
    • 2-Butenoic acid,2-methyl-,(3aR,4R,6R,7S,9S,11aR)-2,3,3a,4,5,6,7,8,9,11a-decahydro-7,9-dihydroxy-6,10-dimethyl-3-methylene-2-o
    • NIVEUSINC
    • DTXSID801098804
    • 75680-27-2
    • 2-Butenoic acid, 2-methyl-, (3aR,4R,6R,7S,9S,11aR)-2,3,3a,4,5,6,7,8,9,11a-decahydro-7,9-dihydroxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxy(10Z)-cyclodeca[b]furan-4-yl ester, (2Z)-
    • Niveusin C
    • C09517
    • [(1R,2Z,4R,8R,9R,11R,12S)-1,12-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (Z)-2-methylbut-2-enoate
    • Q27107537
    • CHEBI:7600
    • Inchi： 1S/C20H26O7/c1-6-10(2)17(22)26-14-8-19(5)15(21)9-20(24,27-19)11(3)7-13-16(14)12(4)18(23)25-13/h6-7,13-16,21,24H,4,8-9H2,1-3,5H3/b10-6-,11-7-/t13-,14-,15+,16+,19-,20-/m1/s1
    • InChI Key： WGVJNQGTZSPMCY-BZHZVRAUSA-N
    • SMILES： O1[C@]2(C(C)=C[C@@H]3[C@H](C(=C)C(=O)O3)[C@@H](C[C@]1(C)[C@H](C2)O)OC(/C(=C\C)/C)=O)O |c:3|

Computed Properties

  • Exact Mass: 378.167853
  • Monoisotopic Mass: 378.167853
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 3
  • Complexity: 751
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 102
  • XLogP3: 1.1

Experimental Properties

  • Density: 1.29
  • Boiling Point: 574.5°C at 760 mmHg
  • Flash Point: 201.7°C
  • Refractive Index: 1.568

2-Butenoic acid,2-methyl-,(3aR,4R,6R,7S,9S,11aR)-2,3,3a,4,5,6,7,8,9,11a-decahydro-7,9-dihydroxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxy(10Z)-cyclodeca[b]furan-4-ylester, (2Z)- Related Literature

Related Categories

75680-27-2 (2-Butenoic acid,2-methyl-,(3aR,4R,6R,7S,9S,11aR)-2,3,3a,4,5,6,7,8,9,11a-decahydro-7,9-dihydroxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxy(10Z)-cyclodeca[b]furan-4-ylester, (2Z)-) Related Products

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