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3-[(Z)-16-(3,5-dihydroxyphenyl)hexadec-8-enyl]-2,5-dimethoxy-1,4-benzoquinone
SpectraBase Compound ID 4qBmRlltFoN
InChI InChI=1S/C30H42O6/c1-35-28-22-27(33)30(36-2)26(29(28)34)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-23-19-24(31)21-25(32)20-23/h3-4,19-22,31-32H,5-18H2,1-2H3/b4-3-
InChIKey KOCSZMQDLIXDIV-ARJAWSKDSA-N
Mol Weight 498.7 g/mol
Molecular Formula C30H42O6
Exact Mass 498.298139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A0cgZo4IayM
Name 3-[(Z)-16-(3,5-dihydroxyphenyl)hexadec-8-enyl]-2,5-dimethoxy-1,4-benzoquinone
Alternate Name(s) 3-[(Z)-16-(3,5-dihydroxyphenyl)hexadec-8-enyl]-2,5-dimethoxy-p-benzoquinone 3-[(Z)-16-(3,5-dihydroxyphenyl)hexadec-8-enyl]-2,5-dimethoxycyclohexa-2,5-diene-1,4-dione 3-[(Z)-16-[3,5-bis(oxidanyl)phenyl]hexadec-8-enyl]-2,5-dimethoxy-cyclohexa-2,5-diene-1,4-dione
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Formula C30H42O6
InChI InChI=1S/C30H42O6/c1-35-28-22-27(33)30(36-2)26(29(28)34)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-23-19-24(31)21-25(32)20-23/h3-4,19-22,31-32H,5-18H2,1-2H3/b4-3-
InChIKey KOCSZMQDLIXDIV-ARJAWSKDSA-N
Molecular Weight 498.660 g/mol
SMILES Oc1cc(cc(c1)CCCCCCC\C=C/CCCCCCCC1=C(C(=O)C=C(C1=O)OC)OC)O
SPLASH splash10-0002-0400900000-eb1d05f0ff12db763c09
Source of Spectrum E2-46-1774-19
Wiley ID 1554633