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14-[2'-Hydroxy-3',4'-dimethyl-5'-(1"-.beta.-D-galactopyranyloxy)phenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoic acid
SpectraBase Compound ID 7bG9mNV1Dhx
InChI InChI=1S/C31H46O9/c1-18(9-7-11-20(3)13-15-26(33)34)8-6-10-19(2)12-14-23-16-24(21(4)22(5)27(23)35)39-31-30(38)29(37)28(36)25(17-32)40-31/h8,11-12,16,25,28-32,35-38H,6-7,9-10,13-15,17H2,1-5H3,(H,33,34)/b18-8+,19-12+,20-11+/t25-,28+,29+,30-,31-/m1/s1
InChIKey IIBLVBKRLINKDI-CYIPOLPISA-N
Mol Weight 562.7 g/mol
Molecular Formula C31H46O9
Exact Mass 562.314183 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7CRznq69OPZ
Name 14-[2'-Hydroxy-3',4'-dimethyl-5'-(1"-.beta.-D-galactopyranyloxy)phenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H46O9
InChI InChI=1S/C31H46O9/c1-18(9-7-11-20(3)13-15-26(33)34)8-6-10-19(2)12-14-23-16-24(21(4)22(5)27(23)35)39-31-30(38)29(37)28(36)25(17-32)40-31/h8,11-12,16,25,28-32,35-38H,6-7,9-10,13-15,17H2,1-5H3,(H,33,34)/b18-8+,19-12+,20-11+/t25-,28+,29+,30-,31-/m1/s1
InChIKey IIBLVBKRLINKDI-CYIPOLPISA-N
Molecular Weight 562.700 g/mol
SMILES O[C@]1([C@](O[C@]([C@@]([C@]1(O)[H])(O)[H])(Oc1c(c(C)c(c(c1)C\C=C\(CC\C=C\(CC\C=C\(CCC(=O)O)C)C)C)O)C)[H])(CO)[H])[H]
SPLASH splash10-0udr-1900210000-1fb300e5a40237f6ce9d
Source of Spectrum U-1997-1084-1
Wiley ID 769723