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(+)-(S)-3-{[(4E,6E,8E)-Dodeca-4,6,8-trienyl]oxy}-2-hydroxypropyl 4-Hydroxybenzoate

View entire compound with spectra: 2 MS (GC)

(+)-(S)-3-{[(4E,6E,8E)-Dodeca-4,6,8-trienyl]oxy}-2-hydroxypropyl 4-Hydroxybenzoate
SpectraBase Compound ID 7RA75fqs1TP
InChI InChI=1S/C22H30O5/c1-2-3-4-5-6-7-8-9-10-11-16-26-17-21(24)18-27-22(25)19-12-14-20(23)15-13-19/h4-9,12-15,21,23-24H,2-3,10-11,16-18H2,1H3/b5-4+,7-6+,9-8+/t21-/m0/s1
InChIKey GPOOJUQRKZSJIB-JUZBPIOXSA-N
Mol Weight 374.48 g/mol
Molecular Formula C22H30O5
Exact Mass 374.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AO1zrf5puPJ
Name Benzoic acid, 4-hydroxy-, 3-(4,6,8-dodecatrienyloxy)-2-hydroxypropyl ester, [S-(E,E,E)]-
CAS Registry Number 123231-46-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O5
InChI InChI=1S/C22H30O5/c1-2-3-4-5-6-7-8-9-10-11-16-26-17-21(24)18-27-22(25)19-12-14-20(23)15-13-19/h4-9,12-15,21,23-24H,2-3,10-11,16-18H2,1H3/b5-4+,7-6+,9-8+/t21-/m0/s1
InChIKey GPOOJUQRKZSJIB-JUZBPIOXSA-N
Molecular Weight 374.477 g/mol
SMILES Oc1ccc(C(OC[C@@](O)(COCCC\C=C\C=C\C=C\CCC)[H])=O)cc1
SPLASH splash10-00di-0900000000-7c8a4e5e17a6fe65732c
Source of Spectrum H-72-1124-0
Synonyms (+)-(S)-3-[[(4E,6E,8E)-dodeca-4,6,8-trienyl]oxy]-2-hydroxypropyl 4-hydroxybenzoate (+)-3-[((4E,6E,8E)-dodeca-4,6,8-trienyl)oxy]-2-hydroxypropyl 4-hydroxybenzoate (+)-3-[{(4E,6E,8E)-dodeca-4,6,8-trienyl}oxy]-1-(4-hydroxybenzoyl)propan-2-ol (2S)-3-[(4E,6E,8E)-4,6,8-dodecatrienyloxy]-2-hydroxypropyl 4-hydroxybenzoate 4-Hydroxybenzoic acid[(2S)-3-[(4E,6E,8E)-dodeca-4,6,8-trienoxy]-2-hydroxy-propyl]ester Isobretonin A [(2S)-3-[(4E,6E,8E)-dodeca-4,6,8-trienoxy]-2-hydroxy-propyl]4-hydroxybenzoate [(2S)-3-[(4E,6E,8E)-dodeca-4,6,8-trienoxy]-2-oxidanyl-propyl]4-oxidanylbenzoate 4-Hydroxybenzoic acid [(2S)-3-[(4E,6E,8E)-dodeca-4,6,8-trienoxy]-2-hydroxypropyl] ester [(2S)-3-[(4E,6E,8E)-dodeca-4,6,8-trienoxy]-2-hydroxypropyl] 4-hydroxybenzoate [(2S)-3-[(4E,6E,8E)-dodeca-4,6,8-trienoxy]-2-hydroxy-propyl] 4-hydroxybenzoate [(2S)-3-[(4E,6E,8E)-dodeca-4,6,8-trienoxy]-2-oxidanyl-propyl] 4-oxidanylbenzoate
Wiley ID 1356759