Cas no 30358-69-1 (Tetradecanoicacid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-3-formyl-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-ylester)

Tetradecanoicacid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-3-formyl-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-ylester structure
30358-69-1 structure
Product Name:Tetradecanoicacid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-3-formyl-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-ylester
CAS No:30358-69-1
MF:C36H54O8
MW:614.809172153473
CID:322911
PubChem ID:16219903
Update Time:2025-04-19

Tetradecanoicacid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-3-formyl-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-ylester Chemical and Physical Properties

Names and Identifiers

    • Tetradecanoicacid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-3-formyl-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-ylester
    • Tetradecanoic acid, 9a-(acetyloxy)-3-formyl-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-
    • 20-Deoxy-20-oxophorbol 12-myristate 13-acetate
    • 20-OXO-20-DEOXYPHORBOL 12-MYRISTATE 13-ACETATE
    • Tetradecanoicacid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-3-formyl-1a,1b,4,4a,5,7a,7b,...
    • Tetradecanoicacid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-3-formyl-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydrox
    • CHEMBL3586016
    • 30358-69-1
    • J-017926
    • Phorbol,20-oxo-20-deoxy 12-myristate 13-acetate,4beta
    • [(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-8-formyl-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate
    • DTXSID10952703
    • 9a-(acetyloxy)-3-formyl-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl tetradecanoate
    • Inchi： 1S/C36H54O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,22,24,27-28,30,32,41-42H,7-18,21H2,1-6H3/t24-,27+,28-,30-,32-,34-,35-,36-/m1/s1
    • InChI Key： AHLWZBVXSWOPPL-RGYGYFBISA-N
    • SMILES： O(C(C)=O)[C@@]12[C@@H]([C@@H](C)[C@@]3([C@@H]4C=C(C)C([C@]4(CC(C=O)=C[C@H]3[C@@H]1C2(C)C)O)=O)O)OC(CCCCCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 614.38186868g/mol
  • Monoisotopic Mass: 614.38186868g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 44
  • Rotatable Bond Count: 17
  • Complexity: 1180
  • 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
  • XLogP3: 7.1
  • Topological Polar Surface Area: 127?2

Experimental Properties

  • PSA: 127.20000
  • LogP: 5.95950

Tetradecanoicacid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-3-formyl-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-ylester Security Information

  • Hazardous Material transportation number：UN 2928
  • Hazard Category Code： 26/27/28-36/37/38
  • Safety Instruction： 26-27-36/37/39-45
  • Hazardous Material Identification： T+ Very
  • HazardClass：6.1(a)
  • PackingGroup：II
  • Risk Phrases：R26/27/28
  • Packing Group：II
  • Hazard Level：6.1(a)
  • Storage Condition：?20°C

Tetradecanoicacid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-3-formyl-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-ylester Pricemore >>

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Tetradecanoicacid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-3-formyl-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-ylester Related Literature

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30358-69-1 (Tetradecanoicacid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-3-formyl-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-ylester) Related Products

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