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2-[(2E,5S,6R,8R)-8-Hydroxy}-10-[(4-methoxybenzyl)oxy]-6-methoxymethoxy-5-methyldec-2-enyl]-6-methoxybenzoic acid
SpectraBase Compound ID F93mrt0JXIs
InChI InChI=1S/C29H40O8/c1-21(8-5-6-9-23-10-7-11-26(35-4)28(23)29(31)32)27(37-20-33-2)18-24(30)16-17-36-19-22-12-14-25(34-3)15-13-22/h5-7,10-15,21,24,27,30H,8-9,16-20H2,1-4H3,(H,31,32)/b6-5+/t21-,24+,27+/m0/s1
InChIKey VSGBKQLHMKPATF-MSHBCGTPSA-N
Mol Weight 516.6 g/mol
Molecular Formula C29H40O8
Exact Mass 516.272318 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HjdjbpBOGbw
Name 2-[(2E,5S,6R,8R)-8-Hydroxy}-10-[(4-methoxybenzyl)oxy]-6-methoxymethoxy-5-methyldec-2-enyl]-6-methoxybenzoic acid
Alternate Name(s) 2-[(E,5S,6R,8R)-8-hydroxy-6-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-5-methyldec-2-enyl]-6-methoxybenzoic acid 2-[(E,5S,6R,8R)-8-hydroxy-6-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-5-methyl-dec-2-enyl]-6-methoxy-benzoic acid 2-Methoxy-6-[(E,5S,6R,8R)-6-(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-5-methyl-8-oxidanyl-dec-2-enyl]benzoic acid
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Formula C29H40O8
InChI InChI=1S/C29H40O8/c1-21(8-5-6-9-23-10-7-11-26(35-4)28(23)29(31)32)27(37-20-33-2)18-24(30)16-17-36-19-22-12-14-25(34-3)15-13-22/h5-7,10-15,21,24,27,30H,8-9,16-20H2,1-4H3,(H,31,32)/b6-5+/t21-,24+,27+/m0/s1
InChIKey VSGBKQLHMKPATF-MSHBCGTPSA-N
Molecular Weight 516.631 g/mol
SMILES OC(c1c(C\C=C\C[C@@]([C@@](C[C@@](CCOCc2ccc(cc2)OC)(O)[H])(OCOC)[H])(C)[H])cccc1OC)=O
SPLASH splash10-00di-0900000000-29551d1ae3a47061decb
Source of Spectrum F-68-8135-21
Wiley ID 1573617