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(2S,8S)-4,6-Dioxo-5-carboxyethyl-2,8-bis[(p-methoxybenzyl)oxy]nonane
SpectraBase Compound ID CbR18SOGM14
InChI InChI=1S/C28H36O8/c1-6-34-28(31)27(25(29)15-19(2)35-17-21-7-11-23(32-4)12-8-21)26(30)16-20(3)36-18-22-9-13-24(33-5)14-10-22/h7-14,19-20,27H,6,15-18H2,1-5H3/t19-,20-/m0/s1
InChIKey VYSFYKQUEKYUEE-PMACEKPBSA-N
Mol Weight 500.6 g/mol
Molecular Formula C28H36O8
Exact Mass 500.241018 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1CUpGm9ZjnO
Name (2S,8S)-4,6-Dioxo-5-carboxyethyl-2,8-bis[(p-methoxybenzyl)oxy]nonane
Alternate Name(s) (2S,8S)-4,6-Dioxo-5-ethoxycarbonyl-2,8-bis[(p-methoxybenzyl)oxy]nonane (7S)-7-[(4-methoxybenzyl)oxy]-4-{(3S)-3-[(4-methoxybenzyl)oxy]butanoyl}-5-oxooctanoic acid (5S)-5-[(4-methoxyphenyl)methoxy]-2-[(3S)-3-[(4-methoxyphenyl)methoxy]-1-oxobutyl]-3-oxohexanoic acid ethyl ester ethyl (5S)-5-[(4-methoxyphenyl)methoxy]-2-[(3S)-3-[(4-methoxyphenyl)methoxy]butanoyl]-3-oxohexanoate ethyl (5S)-5-[(4-methoxyphenyl)methoxy]-2-[(3S)-3-[(4-methoxyphenyl)methoxy]butanoyl]-3-oxo-hexanoate ethyl (5S)-5-[(4-methoxyphenyl)methoxy]-2-[(3S)-3-[(4-methoxyphenyl)methoxy]butanoyl]-3-oxidanylidene-hexanoate
Comments Less than 3 mono-isotopic peaks
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Formula C28H36O8
InChI InChI=1S/C28H36O8/c1-6-34-28(31)27(25(29)15-19(2)35-17-21-7-11-23(32-4)12-8-21)26(30)16-20(3)36-18-22-9-13-24(33-5)14-10-22/h7-14,19-20,27H,6,15-18H2,1-5H3/t19-,20-/m0/s1
InChIKey VYSFYKQUEKYUEE-PMACEKPBSA-N
Molecular Weight 500.588 g/mol
SMILES C(C(C[C@@](OCc1ccc(cc1)OC)(C)[H])=O)(C(C[C@@](OCc1ccc(cc1)OC)(C)[H])=O)C(=O)OCC
SPLASH splash10-000i-0900000000-1bc40d046bfcff86f04c
Source of Spectrum F-51-8988-1
Wiley ID 793117