Cas no 71154-83-1 (5-Heptenoic acid,7-[(1S,2R,3R,5S)-3-[(1E,3R)-3-hydroxy-1-octen-1-yl]-6,6-dimethylbicyclo[3.1.1]hept-2-yl]-,(5Z)-)

5-Heptenoic acid,7-[(1S,2R,3R,5S)-3-[(1E,3R)-3-hydroxy-1-octen-1-yl]-6,6-dimethylbicyclo[3.1.1]hept-2-yl]-,(5Z)- structure
71154-83-1 structure
Product Name:5-Heptenoic acid,7-[(1S,2R,3R,5S)-3-[(1E,3R)-3-hydroxy-1-octen-1-yl]-6,6-dimethylbicyclo[3.1.1]hept-2-yl]-,(5Z)-
CAS No:71154-83-1
MF:C24H40O3
MW:376.57260799408
CID:571425
PubChem ID:6438641
Update Time:2025-04-19

5-Heptenoic acid,7-[(1S,2R,3R,5S)-3-[(1E,3R)-3-hydroxy-1-octen-1-yl]-6,6-dimethylbicyclo[3.1.1]hept-2-yl]-,(5Z)- Chemical and Physical Properties

Names and Identifiers

    • 5-Heptenoic acid,7-[(1S,2R,3R,5S)-3-[(1E,3R)-3-hydroxy-1-octen-1-yl]-6,6-dimethylbicyclo[3.1.1]hept-2-yl]-,(5Z)-
    • (Z)-7-[(1S,4R,5S)-3-[(E,3R)-3-hydroxyoct-1-enyl]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
    • 15(R)-Pinane Thromboxane A2
    • pinane-thromboxane A2
    • 71154-83-1
    • (Z)-7-[(1S,2R,5S)-3-[(E,3R)-3-Hydroxyoct-1-enyl]-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
    • (1S-(1alpha,2beta(Z),3alpha(1E,3S*),5alpha))-7-(3-(3-Hydroxy-1-octenyl)-6,6-dimethylbicyclo(3.1.1)hept-2-yl)-5-heptenoic acid
    • Pinane thromboxane A2
    • Inchi: 1S/C24H40O3/c1-4-5-8-11-20(25)15-14-18-16-19-17-22(24(19,2)3)21(18)12-9-6-7-10-13-23(26)27/h6,9,14-15,18-22,25H,4-5,7-8,10-13,16-17H2,1-3H3,(H,26,27)/b9-6-,15-14+/t18?,19-,20+,21+,22-/m0/s1
    • InChI Key: OHJIHGVLRDHSDV-AJKZGVCQSA-N
    • SMILES: O[C@H](CCCCC)/C=C/C1C[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)C2(C)C

Computed Properties

  • Exact Mass: 376.2979
  • Monoisotopic Mass: 376.29774513g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 12
  • Complexity: 520
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 6.2
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • PSA: 57.53

5-Heptenoic acid,7-[(1S,2R,3R,5S)-3-[(1E,3R)-3-hydroxy-1-octen-1-yl]-6,6-dimethylbicyclo[3.1.1]hept-2-yl]-,(5Z)- Pricemore >>

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5-Heptenoic acid,7-[(1S,2R,3R,5S)-3-[(1E,3R)-3-hydroxy-1-octen-1-yl]-6,6-dimethylbicyclo[3.1.1]hept-2-yl]-,(5Z)- Related Literature

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