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2,5-Cyclohexadiene-1,4-dione, 2-(acetyloxy)-5-methoxy-3-[(1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl]-, [1R-(1.alpha.,2.beta.,4a.beta.,8a.alpha.)]-

View entire compound with spectra: 1 MS (GC)

2,5-Cyclohexadiene-1,4-dione, 2-(acetyloxy)-5-methoxy-3-[(1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl]-, [1R-(1.alpha.,2.beta.,4a.beta.,8a.alpha.)]-
SpectraBase Compound ID 8mhEA1l9jJ0
InChI InChI=1S/C24H32O5/c1-14-8-7-9-20-23(14,4)11-10-15(2)24(20,5)13-17-21(27)19(28-6)12-18(26)22(17)29-16(3)25/h8,12,15,20H,7,9-11,13H2,1-6H3/t15-,20+,23+,24+/m0/s1
InChIKey ZDPUHDLMLYNYMC-LLUPRIMMSA-N
Mol Weight 400.5 g/mol
Molecular Formula C24H32O5
Exact Mass 400.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4SQYRLZQHY
Name 2,5-Cyclohexadiene-1,4-dione, 2-(acetyloxy)-5-methoxy-3-[(1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl]-, [1R-(1.alpha.,2.beta.,4a.beta.,8a.alpha.)]-
CAS Registry Number 69672-71-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32O5
InChI InChI=1S/C24H32O5/c1-14-8-7-9-20-23(14,4)11-10-15(2)24(20,5)13-17-21(27)19(28-6)12-18(26)22(17)29-16(3)25/h8,12,15,20H,7,9-11,13H2,1-6H3/t15-,20+,23+,24+/m0/s1
InChIKey ZDPUHDLMLYNYMC-LLUPRIMMSA-N
Molecular Weight 400.515 g/mol
SMILES C1(=C(C(=O)C=C(C1=O)OC)OC(=O)C)C[C@]1([C@]2([C@](C(C)=CCC2)(C)CC[C@@]1(C)[H])[H])C
SPLASH splash10-0292-5921000000-71088fa3c7b1d765c3a1
Source of Spectrum B-31-2692-0
Synonyms 2-Acetoxy-5-methoxy-3-((1',2',4a',5'-tetramethyl-1',2',3',4',4a',7',8',8a'-octahydronaphthalen-1'-yl)methyl)-p-benzoquinone 2-{[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]methyl}-4-methoxy-3,6-dioxo-1,4-cyclohexadien-1-yl acetate Acetic acid[2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-3,6-diketo-4-methoxy-cyclohexa-1,4-dien-1-yl]ester Acetic acid[2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-methoxy-3,6-dioxo-1-cyclohexa-1,4-dienyl]ester [2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-methoxy-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]ethanoate [2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-methoxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl]acetate Acetic acid [2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-methoxy-3,6-dioxo-1-cyclohexa-1,4-dienyl] ester [2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl] acetate [2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-methoxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl] acetate [2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-methoxy-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl] ethanoate
Wiley ID 1369531