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14-[2'-Hydroxy-3',4'-dimethyl-5'-(1"-.beta.-D-xylopyranosyloxy)phenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoic acid
SpectraBase Compound ID 63XyS3wmUps
InChI InChI=1S/C30H44O8/c1-18(9-7-11-20(3)13-15-26(32)33)8-6-10-19(2)12-14-23-16-25(21(4)22(5)27(23)34)38-30-29(36)28(35)24(31)17-37-30/h8,11-12,16,24,28-31,34-36H,6-7,9-10,13-15,17H2,1-5H3,(H,32,33)/b18-8+,19-12+,20-11+/t24-,28+,29-,30+/m1/s1
InChIKey BHNJFIZZQGJJRA-ILGQEKDGSA-N
Mol Weight 532.7 g/mol
Molecular Formula C30H44O8
Exact Mass 532.303618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8f06Ncl8xqV
Name 14-[2'-Hydroxy-3',4'-dimethyl-5'-(1"-.beta.-D-xylopyranosyloxy)phenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoic acid
Alternate Name(s) (4E,8E,12Z)-14-[2'-Hydroxy-3',4'-dimethyl-5'-(1''-.beta.,D-xylopyranosyloxy)phenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoic acid (4E,8E,12Z)-14-[2'-Hydroxy-3',4'-dimethyl-5'-(1''-.beta.,D-xylopyranosyloxy)phenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoic acid 14-[2'-Hydroxy-3',4'-dimethyl-5'-(1''-.beta.-D-xylopyranosyloxy)phenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoic acid
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Formula C30H44O8
InChI InChI=1S/C30H44O8/c1-18(9-7-11-20(3)13-15-26(32)33)8-6-10-19(2)12-14-23-16-25(21(4)22(5)27(23)34)38-30-29(36)28(35)24(31)17-37-30/h8,11-12,16,24,28-31,34-36H,6-7,9-10,13-15,17H2,1-5H3,(H,32,33)/b18-8+,19-12+,20-11+/t24-,28+,29-,30+/m1/s1
InChIKey BHNJFIZZQGJJRA-ILGQEKDGSA-N
Molecular Weight 532.674 g/mol
SMILES OC(CC\C(=C\CC\C(=C\CC\C(=C\Cc1c(c(c(c(O[C@]2([C@@]([C@]([C@@](CO2)(O)[H])(O)[H])(O)[H])[H])c1)C)C)O)C)C)C)=O
SPLASH splash10-0udi-1900300000-cf00ef13a479b3862b12
Source of Spectrum U1-1998-50-2
Wiley ID 1521869