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(5Z,7E,9E,11E)-Tetradeca-5,7,9,11-tetraen-1-yl (R)-2-Hydroxy-3-methylbutanoate
SpectraBase Compound ID J8rC6tXeqMv
InChI InChI=1S/C19H30O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-19(21)18(20)17(2)3/h5-12,17-18,20H,4,13-16H2,1-3H3/b6-5+,8-7+,10-9+,12-11-/t18-/m1/s1
InChIKey MFYVPBMNSAAFKP-SJXBUGQXSA-N
Mol Weight 306.45 g/mol
Molecular Formula C19H30O3
Exact Mass 306.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID gZMUc9QcZ5
Name (5Z,7E,9E,11E)-Tetradeca-5,7,9,11-tetraen-1-yl (R)-2-Hydroxy-3-methylbutanoate
Alternate Name(s) Praealtaester A
Appearance Yellowish oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30O3
InChI InChI=1S/C19H30O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-19(21)18(20)17(2)3/h5-12,17-18,20H,4,13-16H2,1-3H3/b6-5+,8-7+,10-9+,12-11-/t18-/m1/s1
InChIKey MFYVPBMNSAAFKP-SJXBUGQXSA-N
Instrument Name Hewlett-Packard 6890N-5975B
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.0c00437
Molecular Weight 306.446 g/mol
Optical Rotation [a]D25 = +64.3 (c = 1, MeOH)
Reported Formula C19H30O3
SMILES O[C@](C(C)C)(C(OCCCC\C=C/C=C/C=C/C=C/CC)=O)[H]
SPLASH splash10-0a4i-8901000000-738311060243f0f0fcc2
Source of Spectrum G4-83-SM5-1
Wiley ID 1876846