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Benzaldehyde, 3,4-bis(acetyloxy)-2-hydroxy-6-methyl-5-(3,7,11-trimethyl-2,6,10-dode catrienyl)-, (E,E)-
SpectraBase Compound ID AyvFL1iUP4c
InChI InChI=1S/C27H36O6/c1-17(2)10-8-11-18(3)12-9-13-19(4)14-15-23-20(5)24(16-28)25(31)27(33-22(7)30)26(23)32-21(6)29/h10,12,14,16,31H,8-9,11,13,15H2,1-7H3/b18-12+,19-14+
InChIKey DYRAAHRZOHMIPQ-IJNKXORISA-N
Mol Weight 456.6 g/mol
Molecular Formula C27H36O6
Exact Mass 456.251189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ExsKSFlOgDL
Name Benzaldehyde, 3,4-bis(acetyloxy)-2-hydroxy-6-methyl-5-(3,7,11-trimethyl-2,6,10-dode catrienyl)-, (E,E)-
CAS Registry Number 65195-47-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36O6
InChI InChI=1S/C27H36O6/c1-17(2)10-8-11-18(3)12-9-13-19(4)14-15-23-20(5)24(16-28)25(31)27(33-22(7)30)26(23)32-21(6)29/h10,12,14,16,31H,8-9,11,13,15H2,1-7H3/b18-12+,19-14+
InChIKey DYRAAHRZOHMIPQ-IJNKXORISA-N
Molecular Weight 456.579 g/mol
SMILES Oc1c(c(C)c(c(c1OC(=O)C)OC(=O)C)C\C=C\(CC\C=C\(CCC=C(C)C)C)C)C=O
SPLASH splash10-001r-0940000000-96d53e94dba4ac124056
Source of Spectrum K-110-3775-0
Synonyms 2-(acetyloxy)-4-formyl-3-hydroxy-5-methyl-6-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]phenyl acetate Scutigeral-diacetate
Wiley ID 1389360