14-[2'-Hydroxy-5'-(1"-.beta.-D-xylopyranosyloxy)phenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoic acid

SpectraBase Compound ID	6Dr7fJLlSfp
InChI	InChI=1S/C28H40O8/c1-18(7-5-9-20(3)11-15-25(31)32)6-4-8-19(2)10-12-21-16-22(13-14-23(21)29)36-28-27(34)26(33)24(30)17-35-28/h6,9-10,13-14,16,24,26-30,33-34H,4-5,7-8,11-12,15,17H2,1-3H3,(H,31,32)/b18-6+,19-10+,20-9+/t24-,26+,27-,28+/m1/s1
InChIKey	MMQFRIZOBOFGKV-MINFVGLLSA-N Google Search
Mol Weight	504.6 g/mol
Molecular Formula	C28H40O8
Exact Mass	504.272318 g/mol

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SpectraBase Spectrum ID	Dwgm78IgPDh
Name	14-[2'-Hydroxy-5'-(1"-.beta.-D-xylopyranosyloxy)phenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoic acid
Alternate Name(s)	(4E,8E)-14-[2'-Hydroxy-3',4'-dimethyl-5'-(1''-.beta.,D-xylopyranosyloxy)phenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoic acid (4E,8E,12E)-14-[2-hydroxy-5-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]phenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoic acid (4E,8E,12E)-14-[2-hydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoic acid (4E,8E,12E)-4,8,12-trimethyl-14-[2-oxidanyl-5-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]tetradeca-4,8,12-trienoic acid
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Formula	C28H40O8
InChI	InChI=1S/C28H40O8/c1-18(7-5-9-20(3)11-15-25(31)32)6-4-8-19(2)10-12-21-16-22(13-14-23(21)29)36-28-27(34)26(33)24(30)17-35-28/h6,9-10,13-14,16,24,26-30,33-34H,4-5,7-8,11-12,15,17H2,1-3H3,(H,31,32)/b18-6+,19-10+,20-9+/t24-,26+,27-,28+/m1/s1
InChIKey	MMQFRIZOBOFGKV-MINFVGLLSA-N
Molecular Weight	504.620 g/mol
SMILES	O[C@@]1([C@]([C@](Oc2ccc(c(c2)C\C=C\(CC\C=C\(CC\C=C\(CCC(=O)O)C)C)C)O)(OC[C@]1(O)[H])[H])(O)[H])[H]
SPLASH	splash10-0230-3902000000-57166aaffed4884b4fdf
Source of Spectrum	U1-1998-54-9
Wiley ID	1521862