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2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-12,13-bis(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamido)-

View entire compound with spectra: 1 MS (GC)

2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-12,13-bis(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamido)-
SpectraBase Compound ID AANLzRU2CZW
InChI InChI=1S/C50H76N2O6/c1-33(2)19-15-21-35(5)23-17-25-37(7)31-39(51-41(53)49-29-27-47(13,43(55)57-49)45(49,9)10)40(32-38(8)26-18-24-36(6)22-16-20-34(3)4)52-42(54)50-30-28-48(14,44(56)58-50)46(50,11)12/h19-20,23-24,31-32,39-40H,15-18,21-22,25-30H2,1-14H3,(H,51,53)(H,52,54)/b35-23+,36-24+,37-31+,38-32+/t39?,40?,47-,48-,49+,50+/m1/s1
InChIKey VVBYQKRPLOOBFP-JEZOIZMXSA-N
Mol Weight 801.2 g/mol
Molecular Formula C50H76N2O6
Exact Mass 800.570338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4QBQJaXXbAn
Name 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-12,13-bis(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamido)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H76N2O6
InChI InChI=1S/C50H76N2O6/c1-33(2)19-15-21-35(5)23-17-25-37(7)31-39(51-41(53)49-29-27-47(13,43(55)57-49)45(49,9)10)40(32-38(8)26-18-24-36(6)22-16-20-34(3)4)52-42(54)50-30-28-48(14,44(56)58-50)46(50,11)12/h19-20,23-24,31-32,39-40H,15-18,21-22,25-30H2,1-14H3,(H,51,53)(H,52,54)/b35-23+,36-24+,37-31+,38-32+/t39?,40?,47-,48-,49+,50+/m1/s1
InChIKey VVBYQKRPLOOBFP-JEZOIZMXSA-N
Molecular Weight 801.166 g/mol
SMILES N(C([C@@]12CC[C@](C(O2)=O)(C1(C)C)C)=O)C(C(\C=C/(C)CC\C=C/(C)CCC=C(C)C)NC(=O)[C@@]12CC[C@](C(O2)=O)(C1(C)C)C)\C=C/(C)CC\C=C/(C)CCC=C(C)C
SPLASH splash10-0ue9-9740200000-d1199130f4e5fdef7939
Synonyms 1,7,7-trimethyl-2-oxo-N-[(3E,7E)-4,8,12-trimethyl-2-[(1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carbonyl)amino]-1-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]trideca-3,7,11-trienyl]-3-oxabicyclo[2.2.1]heptane-4-carboxamide 2-keto-N-[(3E,7E)-2-[(2-keto-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carbonyl)amino]-4,8,12-trimethyl-1-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]trideca-3,7,11-trienyl]-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carboxamide 4,7,7-Trimethyl-3-oxo-N-((3E,7E)-4,8,12-trimethyl-2-([(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]amino)-1-[(1E,5E)-2,6,10-trimethyl-1,5,9-undecatrienyl]-3,7,11-tridecatrienyl)-2-oxab N-[(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyl-13-[(1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptan-4-yl)carbonylamino]tetracosa-2,6,10,14,18,22-hexaen-12-yl]-1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxamide N-[(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyl-13-[(1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carbonyl)amino]tetracosa-2,6,10,14,18,22-hexaen-12-yl]-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide N-[(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyl-13-[[oxo-(1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptan-4-yl)methyl]amino]tetracosa-2,6,10,14,18,22-hexaen-12-yl]-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide
Wiley ID 1485564