14-[2',3',4'-Trimethyl-5'-(1"-.beta.-D-xylopyranosyloxy)phenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoic acid

SpectraBase Compound ID	378Ha1CKIyf
InChI	InChI=1S/C31H46O7/c1-19(10-8-12-21(3)14-16-28(33)34)9-7-11-20(2)13-15-25-17-27(24(6)22(4)23(25)5)38-31-30(36)29(35)26(32)18-37-31/h9,12-13,17,26,29-32,35-36H,7-8,10-11,14-16,18H2,1-6H3,(H,33,34)/b19-9+,20-13+,21-12+/t26-,29+,30-,31+/m1/s1
InChIKey	SCAKIBBLKPNAPE-HWFWTSRZSA-N Google Search
Mol Weight	530.7 g/mol
Molecular Formula	C31H46O7
Exact Mass	530.324354 g/mol

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SpectraBase Spectrum ID	GOUT8rz4DDG
Name	14-[2',3',4'-Trimethyl-5'-(1"-.beta.-D-xylopyranosyloxy)phenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoic acid
Alternate Name(s)	(4E,8E)-4,8,12-Trimethyl-14-[2',3',4'-trimethyl-5'-(1''-.beta.,D-xylopyranosyloxy)phenyl]tetradeca-4,8,12-trienoic acid (4E,8E,12E)-4,8,12-trimethyl-14-[2,3,4-trimethyl-5-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]phenyl]tetradeca-4,8,12-trienoic acid (4E,8E,12E)-4,8,12-trimethyl-14-[2,3,4-trimethyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]tetradeca-4,8,12-trienoic acid (4E,8E,12E)-4,8,12-trimethyl-14-[2,3,4-trimethyl-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	C31H46O7
InChI	InChI=1S/C31H46O7/c1-19(10-8-12-21(3)14-16-28(33)34)9-7-11-20(2)13-15-25-17-27(24(6)22(4)23(25)5)38-31-30(36)29(35)26(32)18-37-31/h9,12-13,17,26,29-32,35-36H,7-8,10-11,14-16,18H2,1-6H3,(H,33,34)/b19-9+,20-13+,21-12+/t26-,29+,30-,31+/m1/s1
InChIKey	SCAKIBBLKPNAPE-HWFWTSRZSA-N
Molecular Weight	530.702 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)C)C)C)C)=O
SPLASH	splash10-0f6t-4986000000-b433d219dd3d8344f73b
Source of Spectrum	U1-1998-55-10
Wiley ID	1521861