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5,5-Dimethyl-1,3-dioxocyclohex-2-yl-5'5'-dimethyl-1'-oxo-3'-hydroxy-cyclohex-2'-en-2'-yl-3'',3''-dimethylbicyclo[2.2.1]hept-2''-exo-yl-methane

View entire compound with spectra: 1 MS (GC)

5,5-Dimethyl-1,3-dioxocyclohex-2-yl-5'5'-dimethyl-1'-oxo-3'-hydroxy-cyclohex-2'-en-2'-yl-3'',3''-dimethylbicyclo[2.2.1]hept-2''-exo-yl-methane
SpectraBase Compound ID 2vbTq8OOS1O
InChI InChI=1S/C26H38O4/c1-24(2)10-16(27)20(17(28)11-24)22(21-18(29)12-25(3,4)13-19(21)30)23-14-7-8-15(9-14)26(23,5)6/h14-15,20,22-23,29H,7-13H2,1-6H3/t14-,15+,22?,23+/m0/s1
InChIKey ODMZKANCNCDDBQ-WFYDVJEXSA-N
Mol Weight 414.6 g/mol
Molecular Formula C26H38O4
Exact Mass 414.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ADA2lmRyTFj
Name 5,5-Dimethyl-1,3-dioxocyclohex-2-yl-5'5'-dimethyl-1'-oxo-3'-hydroxy-cyclohex-2'-en-2'-yl-3'',3''-dimethylbicyclo[2.2.1]hept-2''-exo-yl-methane
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H38O4
InChI InChI=1S/C26H38O4/c1-24(2)10-16(27)20(17(28)11-24)22(21-18(29)12-25(3,4)13-19(21)30)23-14-7-8-15(9-14)26(23,5)6/h14-15,20,22-23,29H,7-13H2,1-6H3/t14-,15+,22?,23+/m0/s1
InChIKey ODMZKANCNCDDBQ-WFYDVJEXSA-N
Literature Reference DOI 10.1002/ardp.19843170215
Molecular Weight 414.586 g/mol
SMILES OC=1CC(CC(C1C(C1C(CC(CC1=O)(C)C)=O)[C@]1([C@@]2(C[C@](C1(C)C)(CC2)[H])[H])[H])=O)(C)C
SPLASH splash10-05o3-9230000000-e2ea515f7d56bdddac59
Source of Spectrum APC-317-182-14
Synonyms 2-((R)-((1S,2S,4S)-3,3-dimethylbicyclo[2.2.1]heptan-2-yl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl)-5,5-dimethylcyclohexane-1,3-dione
Wiley ID 1788162