Methyl-11- (3,5-Epidioxy-2-Ethylcyclopentyl) -9-Hydroperoxy-10-Undecenoate
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Structural Information
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Methyl-11- (3,5-Epidioxy-2-Ethylcyclopentyl) -9-Hydroperoxy-10-Undecenoate
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- Methyl-11- (3,5-Epidioxy-2-Ethylcyclopentyl) -9-Hydroperoxy-10-Undecenoate
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Formula
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C19H32O6
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Exact Mass
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356.219888756
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Average Mass
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356.45378
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SMILES
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C(C2CC)(O1)CC(C2C=CC(OO)CCCCCCCC(=O)OC)O1
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Physicochemical Information
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Spectral Information
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Mass Spectra
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EI-MS(after reduction and TMS)
Oconnor_DE et al.: m/e=543[M-CH3]; 468[M-HOTMS]; 401[M-(CH2)7COOCH3]; 378[M-2xHOTMS]; 352[468-SMTO=CHCH2]; 323[352-CH2CH3]; 285[CH=CHCH(OTMS)(CH2)7COOCH3]; 259[SMTO=CH(CH2)7COOCH3]; 217[SMTO-CH=CH-CH=OTMS]
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UV Spectra
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IR Spectra
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OOH group: 3620-3010cm-1[bonded], 3520cm-1[free]; isolated trans unsaturation: 960cm-1
Neff_WE et al.
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NMR Spectra
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1H-NMR
Oconnor_DE et al.
Oconnor_DE et al.: C9: 4.26-4.35; C10: 5.47-5.52; C11: 5.44-6.03; C12: 2.66-2.92; C13: 4.42-4.53; C15: 4.53-4.66; C16: 1.90-2.16; OOH: 7.89-7.94; 13C-NMR
Oconnor_DE et al.
Oconnor_DE et al.: C9: 86.3-86.6; C10: 129.8-132.4; C11: 132.4-135.0; C12: 45.9-50.8; C13: 79.8-80.5C14: 39.3-44.1; C15: 81.7-83.0;
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Other Spectra
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Chromatograms
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