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MAYOLENE-18;(11S,9Z,12Z,15Z)-11-OCTADECANOYLOXY-OCTADECA-9,12,15-TRIENOIC-ACID

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MAYOLENE-18;(11S,9Z,12Z,15Z)-11-OCTADECANOYLOXY-OCTADECA-9,12,15-TRIENOIC-ACID
SpectraBase Compound ID 7D9iA5lW7j6
InChI InChI=1S/C36H64O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-25-29-33-36(39)40-34(30-26-22-8-6-4-2)31-27-23-19-18-20-24-28-32-35(37)38/h6,8,26-27,30-31,34H,3-5,7,9-25,28-29,32-33H2,1-2H3,(H,37,38)/b8-6-,30-26-,31-27-/t34-/m0/s1
InChIKey RFJCITQJURPJMT-INOIBKDBSA-N
Mol Weight 560.9 g/mol
Molecular Formula C36H64O4
Exact Mass 560.480461 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2hRc232SGWm
Name MAYOLENE-18;(11S,9Z,12Z,15Z)-11-OCTADECANOYLOXY-OCTADECA-9,12,15-TRIENOIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H64O4
InChI InChI=1S/C36H64O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-25-29-33-36(39)40-34(30-26-22-8-6-4-2)31-27-23-19-18-20-24-28-32-35(37)38/h6,8,26-27,30-31,34H,3-5,7,9-25,28-29,32-33H2,1-2H3,(H,37,38)/b8-6-,30-26-,31-27-/t34-/m0/s1
InChIKey RFJCITQJURPJMT-INOIBKDBSA-N
Literature Reference Author D.B.WEIBEL,L.E.SHEVY,F.C.SCHROEDER,J.MEINWALD
Literature Reference Citation J.ORG.CHEM.,67,5896(2002)
Literature Reference DOI 10.1021/jo011102q
Molecular Weight 560.902 g/mol
Solvent C6D6
Source File Reference UWMS25802