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2,5-Cyclohexadiene-1,4-dione, 2-(acetyloxy)-5-methoxy-3-[(octahydro-2,5,5,8a-tetramethyl-1(2H)-naph thalenylidene)methyl]-, [2S-(1E,2.alpha.,4a.beta.,8a.alpha.)]-
SpectraBase Compound ID JW9WMhdhONm
InChI InChI=1S/C24H32O5/c1-14-8-9-20-23(3,4)10-7-11-24(20,5)17(14)12-16-21(27)19(28-6)13-18(26)22(16)29-15(2)25/h12-14,20H,7-11H2,1-6H3/b17-12+/t14-,20-,24+/m0/s1
InChIKey GAEWBHMJMALIJG-MNGJBDBLSA-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 BQtDv8aWlKI
Name 2,5-Cyclohexadiene-1,4-dione, 2-(acetyloxy)-5-methoxy-3-[(octahydro-2,5,5,8a-tetramethyl-1(2H)-naph thalenylidene)methyl]-, [2S-(1E,2.alpha.,4a.beta.,8a.alpha.)]-
CAS Registry Number 69672-80-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32O5
InChI InChI=1S/C24H32O5/c1-14-8-9-20-23(3,4)10-7-11-24(20,5)17(14)12-16-21(27)19(28-6)13-18(26)22(16)29-15(2)25/h12-14,20H,7-11H2,1-6H3/b17-12+/t14-,20-,24+/m0/s1
InChIKey GAEWBHMJMALIJG-MNGJBDBLSA-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)(C)CCC2)([H])CC[C@@]1(C)[H])C
SPLASH splash10-0a4i-2498200000-c26995730dd07dca1055
Source of Spectrum B-31-2695-0
Synonyms (E,2S,4aS,8aS)-2-acetoxy-5-methoxy-3-((2,5,5,8a-tetramethyldecahydronapthalen-1-ylidene)methyl)-p-benzoquinone 2-[(E)-((2S,4aS,8aS)-2,5,5,8a-tetramethyloctahydro-1(2H)-naphthalenylidene)methyl]-4-methoxy-3,6-dioxo-1,4-cyclohexadien-1-yl acetate
Wiley ID 1369532