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3-(11'-Acetoxydriman-11'-yl)-2,5-dimethoxy-1,4-benzoquinone

View entire compound with spectra: 1 MS (GC)

3-(11'-Acetoxydriman-11'-yl)-2,5-dimethoxy-1,4-benzoquinone
SpectraBase Compound ID 6KgJGx4QQaY
InChI InChI=1S/C25H36O6/c1-14-9-10-18-24(3,4)11-8-12-25(18,5)20(14)23(31-15(2)26)19-21(28)17(29-6)13-16(27)22(19)30-7/h13-14,18,20,23H,8-12H2,1-7H3/t14-,18-,20+,23?,25-/m0/s1
InChIKey YBHCIPNCNJBZCC-PRDSCKRCSA-N
Mol Weight 432.6 g/mol
Molecular Formula C25H36O6
Exact Mass 432.251189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JieCEuAUL79
Name 3-(11'-Acetoxydriman-11'-yl)-2,5-dimethoxy-1,4-benzoquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H36O6
InChI InChI=1S/C25H36O6/c1-14-9-10-18-24(3,4)11-8-12-25(18,5)20(14)23(31-15(2)26)19-21(28)17(29-6)13-16(27)22(19)30-7/h13-14,18,20,23H,8-12H2,1-7H3/t14-,18-,20+,23?,25-/m0/s1
InChIKey YBHCIPNCNJBZCC-PRDSCKRCSA-N
Molecular Weight 432.557 g/mol
SMILES C1(C([C@@]2([C@@]3([C@@](C(C)(C)CCC3)([H])CC[C@@]2(C)[H])C)[H])OC(=O)C)=C(C(=O)C=C(C1=O)OC)OC
SPLASH splash10-0002-0930000000-9cf06244aab4e949bd1c
Source of Spectrum H-86-2019-18
Synonyms (S)-[(1S,2S,4aS,8aS)-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl](2,5-dimethoxy-3,6-dioxo-1,4-cyclohexadien-1-yl)methyl acetate 3-{[(Acetyloxy)-decahydro-2',5',5',8'a-tetramethylnaphthalen-1'-yl)methyl}-2,5-dimethoxycyclohexa-2,4-diene-1,4-dione Acetic acid[[(1S,2S,4aS,8aS)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]-(2,5-dimethoxy-3,6-dioxo-1-cyclohexa-1,4-dienyl)methyl]ester Acetic acid[[(1S,2S,4aS,8aS)-2,5,5,8a-tetramethyldecalin-1-yl]-(3,6-diketo-2,5-dimethoxy-cyclohexa-1,4-dien-1-yl)methyl]ester [[(1S,2S,4aS,8aS)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]-(2,5-dimethoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]acetate [[(1S,2S,4aS,8aS)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]-[2,5-dimethoxy-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]methyl]ethanoate [[(1S,2S,4aS,8aS)-2,5,5,8a-tetramethyldecalin-1-yl]-(2,5-dimethoxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl)methyl]acetate Acetic acid [[(1S,2S,4aS,8aS)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]-(2,5-dimethoxy-3,6-dioxo-1-cyclohexa-1,4-dienyl)methyl] ester [[(1S,2S,4aS,8aS)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]-(2,5-dimethoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl] acetate [[(1S,2S,4aS,8aS)-2,5,5,8a-tetramethyldecalin-1-yl]-(2,5-dimethoxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl)methyl] acetate [[(1S,2S,4aS,8aS)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]-[2,5-dimethoxy-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]methyl] ethanoate
Wiley ID 1525454