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2-[(2E,6E,10E,14E,18Z,22E,26E,30E,34E,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-Dodecamethyl-2,6,10,14,18,22,26,30,34,38,42,46-octatetracontadodecaenyl]-5,6-dimethoxy-3-methylbenzo-1,4-quinone

View entire compound with spectra: 1 MS (GC)

2-[(2E,6E,10E,14E,18Z,22E,26E,30E,34E,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-Dodecamethyl-2,6,10,14,18,22,26,30,34,38,42,46-octatetracontadodecaenyl]-5,6-dimethoxy-3-methylbenzo-1,4-quinone
SpectraBase Compound ID HsdxkpMYC7f
InChI InChI=1S/C69H106O4/c1-52(2)28-17-29-53(3)30-18-31-54(4)32-19-33-55(5)34-20-35-56(6)36-21-37-57(7)38-22-39-58(8)40-23-41-59(9)42-24-43-60(10)44-25-45-61(11)46-26-47-62(12)48-27-49-63(13)50-51-65-64(14)66(70)68(72-15)69(73-16)67(65)71/h28,30,32,34,36,38,40,42,44,46,48,50H,17-27,29,31,33,35,37,39,41,43,45,47,49,51H2,1-16H3/b53-30+,54-32+,55-34+,56-36+,57-38+,58-40+,59-42+,60-44+,61-46+,62-48+,63-50+
InChIKey NWAKMJSLSDJISV-JVLSEPFISA-N
Mol Weight 999.6 g/mol
Molecular Formula C69H106O4
Exact Mass 998.809112 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4XNMKbj4BRI
Name 2-[(2E,6E,10E,14E,18Z,22E,26E,30E,34E,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-Dodecamethyl-2,6,10,14,18,22,26,30,34,38,42,46-octatetracontadodecaenyl]-5,6-dimethoxy-3-methylbenzo-1,4-quinone
CAS Registry Number 24663-36-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C69H106O4
InChI InChI=1S/C69H106O4/c1-52(2)28-17-29-53(3)30-18-31-54(4)32-19-33-55(5)34-20-35-56(6)36-21-37-57(7)38-22-39-58(8)40-23-41-59(9)42-24-43-60(10)44-25-45-61(11)46-26-47-62(12)48-27-49-63(13)50-51-65-64(14)66(70)68(72-15)69(73-16)67(65)71/h28,30,32,34,36,38,40,42,44,46,48,50H,17-27,29,31,33,35,37,39,41,43,45,47,49,51H2,1-16H3/b53-30+,54-32+,55-34+,56-36+,57-38+,58-40+,59-42+,60-44+,61-46+,62-48+,63-50+
InChIKey NWAKMJSLSDJISV-JVLSEPFISA-N
Molecular Weight 999.603 g/mol
SMILES COC1=C(OC)C(=O)C(C\C=C/(C)CC\C=C/(C)CC\C=C/(C)CC\C=C/(C)CC\C=C/(C)CC\C=C/(C)CC\C=C/(C)CC\C=C/(C)CC\C=C/(C)CC\C=C/(C)CC\C=C/(C)CCC=C(C)C)=C(C)C1=O
SPLASH splash10-00lj-9830000000-d1f814a06043b4a73ee7
Source of Spectrum W5-1989-32553-1
Synonyms Coenzyme Q12 (ubiquinone 60) 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-2,6,10,14,18,22,26,30,34,38,42,46-dodecaenyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-2,6,10,14,18,22,26,30,34,38,42,46-dodecaenyl]-5,6-dimethoxy-3-methyl-1,4-benzoquinone 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-2,6,10,14,18,22,26,30,34,38,42,46-dodecaenyl]-5,6-dimethoxy-3-methyl-cyclohexa-2,5-diene-1,4-dione
Wiley ID 1418388