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(5Z,7E,9E,11E)-Tetradeca-5,7,9,11-tetraen-1-yl (R)-2-Acetoxy-3-methylbutanoate
SpectraBase Compound ID 5oQbL7yO9TE
InChI InChI=1S/C21H32O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-24-21(23)20(18(2)3)25-19(4)22/h6-13,18,20H,5,14-17H2,1-4H3/b7-6+,9-8+,11-10+,13-12-/t20-/m1/s1
InChIKey ZKTHLPSCZXABNW-NBLJNUFQSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4H5ZvywZ0B0
Name (5Z,7E,9E,11E)-Tetradeca-5,7,9,11-tetraen-1-yl (R)-2-Acetoxy-3-methylbutanoate
Alternate Name(s) Praealtaester D
Appearance Yellowish oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-24-21(23)20(18(2)3)25-19(4)22/h6-13,18,20H,5,14-17H2,1-4H3/b7-6+,9-8+,11-10+,13-12-/t20-/m1/s1
InChIKey ZKTHLPSCZXABNW-NBLJNUFQSA-N
Instrument Name Hewlett-Packard 6890N-5975B
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.0c00437
Molecular Weight 348.483 g/mol
Optical Rotation [a]D25 = +80.0 (c = 1, MeOH)
Reported Formula C21H32O4
SMILES C([C@](C(OCCCC\C=C/C=C/C=C/C=C/CC)=O)(OC(=O)C)[H])(C)C
SPLASH splash10-00kf-8901000000-42595fcfe2b7329dc7ff
Source of Spectrum G4-83-SM25-4
Wiley ID 1876849