Cas no 115905-51-6 (Tetradecanoic acid,(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b,9-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-ylester)

Tetradecanoic acid,(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b,9-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-ylester structure
115905-51-6 structure
Product Name:Tetradecanoic acid,(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b,9-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-ylester
CAS No:115905-51-6
MF:C34H54O7
MW:574.788371562958
CID:130976
PubChem ID:25017349
Update Time:2025-04-19

Tetradecanoic acid,(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b,9-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-ylester Chemical and Physical Properties

Names and Identifiers

    • Tetradecanoic acid,(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b,9-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-ylester
    • PHORBOL 13-MYRISTATE
    • Tetradecanoic acid,(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b,9-...
    • Tetradecanoic acid,(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b,9-trihydroxy-3-(hydroxymethyl)-1,
    • CTK8E7774
    • [(1S,2S,6R,10S,11S,13S,14R,15R)-1,6,14-Trihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate
    • (1aS,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b,9-Trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl tetradecanoate
    • J-003332
    • 115905-51-6
    • DTXSID10648432
    • Inchi： 1S/C34H54O7/c1-6-7-8-9-10-11-12-13-14-15-16-17-27(36)41-34-28(31(34,4)5)25-19-24(21-35)20-32(39)26(18-22(2)29(32)37)33(25,40)23(3)30(34)38/h18-19,23,25-26,28,30,35,38-40H,6-17,20-21H2,1-5H3/t23-,25+,26-,28+,30-,32-,33-,34-/m1/s1
    • InChI Key： CESGKXMBHGUQTB-JWHXDPQNSA-N
    • SMILES： O(C(CCCCCCCCCCCCC)=O)[C@@]12[C@@H]([C@@H](C)[C@@]3([C@@H]4C=C(C)C([C@]4(CC(CO)=C[C@H]3[C@H]1C2(C)C)O)=O)O)O

Computed Properties

  • Exact Mass: 574.38700
  • Monoisotopic Mass: 574.38695406g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 41
  • Rotatable Bond Count: 15
  • Complexity: 1050
  • 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
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 6
  • Topological Polar Surface Area: 124?2

Experimental Properties

  • Color/Form: Not available
  • PSA: 124.29000
  • LogP: 5.18210
  • Solubility: Not available

Tetradecanoic acid,(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b,9-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-ylester Pricemore >>

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Tetradecanoic acid,(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b,9-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-ylester Related Literature

Related Categories

115905-51-6 (Tetradecanoic acid,(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b,9-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-ylester) Related Products

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