Cas no 125-66-6 (17,19-Dinoratis-15-ene-4,13,14-tricarboxylicacid, 16-(1-methylethyl)-, (4a,8a,12a,13R,14S)-)

17,19-Dinoratis-15-ene-4,13,14-tricarboxylicacid, 16-(1-methylethyl)-, (4a,8a,12a,13R,14S)- structure
125-66-6 structure
Product Name:17,19-Dinoratis-15-ene-4,13,14-tricarboxylicacid, 16-(1-methylethyl)-, (4a,8a,12a,13R,14S)-
CAS No:125-66-6
MF:C24H34O6
MW:418.523168087006
CID:206197
PubChem ID:73852568
Update Time:2025-04-19

17,19-Dinoratis-15-ene-4,13,14-tricarboxylicacid, 16-(1-methylethyl)-, (4a,8a,12a,13R,14S)- Chemical and Physical Properties

Names and Identifiers

    • 17,19-Dinoratis-15-ene-4,13,14-tricarboxylicacid, 16-(1-methylethyl)-, (4a,8a,12a,13R,14S)-
    • (15alpha,16beta)-15-carboxy-13-(propan-2-yl)atis-13-ene-17,19-dioic acid
    • (4alpha,8alpha,12alpha,13R,14S)-16-Isopropyl-17,19-dinoratis-15-ene-4,13,14-tricarboxylic acid
    • 17,19-Dinoratis-15-ene-4,13,14-tricarboxylic acid, 16-(1-methylethyl)-, (4alpha,8alpha,12alpha,13R,14S)-
    • A)-15-carboxy-13-(propan-2-yl)atis-13-ene-17,19-dioic acid
    • A,16
    • AI3-27669
    • Fumaropimaric acid
    • EINECS 204-748-0
    • (4.ALPHA.,8.ALPHA.,12.ALPHA.,13R,14S)-16-(1-METHYLETHYL)-17,19-DINORATIS-15-ENE-4,13,14-TRICARBOXYLIC ACID
    • 057F0F79CY
    • Atis-13-ene-17,18-dioic acid, 15.alpha.-carboxy-13-isopropyl-
    • 17,19-Dinoratis-15-ene-4,13,14-tricarboxylic acid, 16-(1-methylethyl)-, (4.alpha.,8.alpha.,12.alpha.,13R,14S)-
    • Q27896952
    • DTXSID20883317
    • (1S,4R,5R,9R,10R,12R,13R,14S)-5,9-dimethyl-16-propan-2-yltetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5,13,14-tricarboxylic acid
    • UNII-057F0F79CY
    • CHEMBL4164145
    • 125-66-6
    • Inchi： 1S/C24H34O6/c1-12(2)14-11-24-9-6-15-22(3,7-5-8-23(15,4)21(29)30)16(24)10-13(14)17(19(25)26)18(24)20(27)28/h11-13,15-18H,5-10H2,1-4H3,(H,25,26)(H,27,28)(H,29,30)/t13-,15+,16+,17+,18+,22-,23+,24-/m0/s1
    • InChI Key： PXYRCOIAFZBLBN-HQJFNQTASA-N
    • SMILES： OC([C@H]1[C@H](C(=O)O)[C@@H]2C(C(C)C)=C[C@@]31CC[C@H]1[C@@](C(=O)O)(C)CCC[C@]1(C)[C@H]3C2)=O

Computed Properties

  • Exact Mass: 418.235539
  • Monoisotopic Mass: 418.235539
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 4
  • Complexity: 830
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 112
  • XLogP3: 4.2

Experimental Properties

  • Density: 1.27
  • Boiling Point: 617.4°Cat760mmHg
  • Flash Point: 341.2°C
  • Refractive Index: 1.582

17,19-Dinoratis-15-ene-4,13,14-tricarboxylicacid, 16-(1-methylethyl)-, (4a,8a,12a,13R,14S)- Related Literature

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