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Ethyl 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: 2 MS (GC)

Ethyl 14-[2'-hydroxy-3',4'-dimethyl-5'-(1"-.beta.-D-xylopyranosyloxy)phenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoate
SpectraBase Compound ID 5JbyURwsiKa
InChI InChI=1S/C32H48O8/c1-7-38-28(34)17-15-22(4)13-9-11-20(2)10-8-12-21(3)14-16-25-18-27(23(5)24(6)29(25)35)40-32-31(37)30(36)26(33)19-39-32/h10,13-14,18,26,30-33,35-37H,7-9,11-12,15-17,19H2,1-6H3/b20-10+,21-14+,22-13+/t26-,30+,31-,32+/m1/s1
InChIKey RFBICPGVFRMXBT-WXMMSYBJSA-N
Mol Weight 560.7 g/mol
Molecular Formula C32H48O8
Exact Mass 560.334918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mwLVq34l6
Name Ethyl 14-[2'-hydroxy-3',4'-dimethyl-5'-(1"-.beta.-D-xylopyranosyloxy)phenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoate
Alternate Name(s) Ethyl (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 ethyl ester Ethyl (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 Ethyl (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 Ethyl (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
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Formula C32H48O8
InChI InChI=1S/C32H48O8/c1-7-38-28(34)17-15-22(4)13-9-11-20(2)10-8-12-21(3)14-16-25-18-27(23(5)24(6)29(25)35)40-32-31(37)30(36)26(33)19-39-32/h10,13-14,18,26,30-33,35-37H,7-9,11-12,15-17,19H2,1-6H3/b20-10+,21-14+,22-13+/t26-,30+,31-,32+/m1/s1
InChIKey RFBICPGVFRMXBT-WXMMSYBJSA-N
Molecular Weight 560.728 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)OCC)C)C)C)C)C
SPLASH splash10-003r-2900600000-85755fb301e6dfd7de14
Source of Spectrum U1-1998-53-7
Wiley ID 1521864