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14-[2'-Hydroxy-3',4'-dimethyl-5'-(1"-.beta.-D-xylopyranosyloxy)phenyl]-4,8,12-trimethyltetradecanoic acid
SpectraBase Compound ID L6MC4zEHzaa
InChI InChI=1S/C30H50O8/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/h16,18-20,24,28-31,34-36H,6-15,17H2,1-5H3,(H,32,33)/t18?,19?,20?,24-,28+,29-,30+/m1/s1
InChIKey DJJPAOQTSYZZQY-ZDGJADCXSA-N
Mol Weight 538.7 g/mol
Molecular Formula C30H50O8
Exact Mass 538.350569 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8QgBbWY4whz
Name 14-[2'-Hydroxy-3',4'-dimethyl-5'-(1"-.beta.-D-xylopyranosyloxy)phenyl]-4,8,12-trimethyltetradecanoic acid
Alternate Name(s) 14-[2-hydroxy-3,4-dimethyl-5-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]phenyl]-4,8,12-trimethyltetradecanoic acid 14-[2-hydroxy-3,4-dimethyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-4,8,12-trimethyltetradecanoic acid 14-[2-hydroxy-3,4-dimethyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-phenyl]-4,8,12-trimethyl-tetradecanoic acid 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-tetradecanoic acid
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Formula C30H50O8
InChI InChI=1S/C30H50O8/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/h16,18-20,24,28-31,34-36H,6-15,17H2,1-5H3,(H,32,33)/t18?,19?,20?,24-,28+,29-,30+/m1/s1
InChIKey DJJPAOQTSYZZQY-ZDGJADCXSA-N
Molecular Weight 538.722 g/mol
SMILES Oc1c(c(c(O[C@]2([C@@]([C@]([C@@](CO2)(O)[H])(O)[H])(O)[H])[H])cc1CCC(CCCC(CCCC(CCC(=O)O)C)C)C)C)C
SPLASH splash10-0udi-0903600000-5fc43faab1e2151335e2
Source of Spectrum U1-1998-50-3
Wiley ID 1521868