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2,5-Cyclohexadiene-1,4-dione, 2-[(1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-1-naphthalenyl)methyl]-, [1R-(1.alpha.,4a.beta.,8a.alpha.)]-

View entire compound with spectra: 3 MS (GC)

2,5-Cyclohexadiene-1,4-dione, 2-[(1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-1-naphthalenyl)methyl]-, [1R-(1.alpha.,4a.beta.,8a.alpha.)]-
SpectraBase Compound ID HBEYdZ0peft
InChI InChI=1S/C21H28O2/c1-14-6-9-19-20(2,3)10-5-11-21(19,4)17(14)13-15-12-16(22)7-8-18(15)23/h6-8,12,17,19H,5,9-11,13H2,1-4H3/t17-,19-,21+/m1/s1
InChIKey YXWACNOEJIDFIN-QFUCXCTJSA-N
Mol Weight 312.45 g/mol
Molecular Formula C21H28O2
Exact Mass 312.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 730Hb7bFj86
Name 2,5-Cyclohexadiene-1,4-dione, 2-[(1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-1-naphthalenyl)methyl]-, [1R-(1.alpha.,4a.beta.,8a.alpha.)]-
CAS Registry Number 39707-59-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O2
InChI InChI=1S/C21H28O2/c1-14-6-9-19-20(2,3)10-5-11-21(19,4)17(14)13-15-12-16(22)7-8-18(15)23/h6-8,12,17,19H,5,9-11,13H2,1-4H3/t17-,19-,21+/m1/s1
InChIKey YXWACNOEJIDFIN-QFUCXCTJSA-N
Molecular Weight 312.453 g/mol
SMILES [C@@]12([C@](CC3=CC(=O)C=CC3=O)(C(C)=CC[C@@]1(C(C)(C)CCC2)[H])[H])C
SPLASH splash10-066u-7900000000-4d1a9d8455fed674881d
Source of Spectrum J-8-2385-6
Synonyms 2,5-Cyclohexadiene-1,4-dione, 2-[(decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)methyl]-, [1S-(1.alpha.,4a.beta.,8a.alpha.)]- 2,5-Cyclohexadiene-1,4-dione, 2-[(decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)methyl]-, [1S-(1alpha,4abeta,8aalpha)]- 2-[(2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methyl]-1,4-benzoquinone 2-[(2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methyl]-p-benzoquinone 2-[(5,5,8a-trimethyl-2-methylene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methyl]cyclohexa-2,5-diene-1,4-dione 2-[(2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methyl]cyclohexa-2,5-diene-1,4-dione 2-[(5,5,8a-trimethyl-2-methylene-decalin-1-yl)methyl]-1,4-benzoquinone 2-[(5,5,8a-trimethyl-2-methylene-decalin-1-yl)methyl]-p-benzoquinone Isozonarone 2-[(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methyl]cyclohexa-2,5-diene-1,4-dione Zonaron 2-[[(1R,4aR,8aR)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-1,4-benzoquinone Zonarone 2-[[(1R,4aR,8aR)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]cyclohexa-2,5-diene-1,4-dione (+)-Isozonarone
Wiley ID 1313876