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Butyl 14-[2'-hydroxy-3',4'-dimethyl-5'-(1"-.beta.-D-xylopyranosyloxy)phenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoate

View entire compound with spectra: 1 MS (GC)

Butyl 14-[2'-hydroxy-3',4'-dimethyl-5'-(1"-.beta.-D-xylopyranosyloxy)phenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoate
SpectraBase Compound ID IIU2ACfiNic
InChI InChI=1S/C34H52O8/c1-7-8-19-40-30(36)18-16-24(4)14-10-12-22(2)11-9-13-23(3)15-17-27-20-29(25(5)26(6)31(27)37)42-34-33(39)32(38)28(35)21-41-34/h11,14-15,20,28,32-35,37-39H,7-10,12-13,16-19,21H2,1-6H3/b22-11+,23-15+,24-14+/t28-,32+,33-,34+/m1/s1
InChIKey LKTPJBXTHWZMFF-XYEUXQRDSA-N
Mol Weight 588.8 g/mol
Molecular Formula C34H52O8
Exact Mass 588.366219 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6UeiwuNS7CE
Name Butyl 14-[2'-hydroxy-3',4'-dimethyl-5'-(1"-.beta.-D-xylopyranosyloxy)phenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H52O8
InChI InChI=1S/C34H52O8/c1-7-8-19-40-30(36)18-16-24(4)14-10-12-22(2)11-9-13-23(3)15-17-27-20-29(25(5)26(6)31(27)37)42-34-33(39)32(38)28(35)21-41-34/h11,14-15,20,28,32-35,37-39H,7-10,12-13,16-19,21H2,1-6H3/b22-11+,23-15+,24-14+/t28-,32+,33-,34+/m1/s1
InChIKey LKTPJBXTHWZMFF-XYEUXQRDSA-N
Molecular Weight 588.782 g/mol
SMILES Oc1c(c(c(O[C@]2([C@@]([C@]([C@@](CO2)(O)[H])(O)[H])(O)[H])[H])cc1C\C=C\(CC\C=C\(CC\C=C\(CCC(=O)OCCCC)C)C)C)C)C
SPLASH splash10-0zg0-1910400000-38c976d4b37763ef2119
Source of Spectrum U1-1998-53-8
Synonyms Butyl (4E,8E)-14-[2'-Hydroxy-3',4'-dimethyl-5'-(1''-.beta.,D-xylopyranosyloxy)phenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoate (4E,8E,12E)-14-[2-hydroxy-3,4-dimethyl-5-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]phenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoic acid butyl ester Butyl (4E,8E,12E)-14-[2-hydroxy-3,4-dimethyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoate Butyl (4E,8E,12E)-14-[2-hydroxy-3,4-dimethyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-phenyl]-4,8,12-trimethyl-tetradeca-4,8,12-trienoate Butyl (4E,8E,12E)-14-[3,4-dimethyl-2-oxidanyl-5-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]-4,8,12-trimethyl-tetradeca-4,8,12-trienoate
Wiley ID 1521863