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{3-Hydroxy-5-[(3R,4R)-4-(3-hydroxy-benzyl)-2-oxo-tetrahydro-furan-3-yl methyl]-phenoxy}-acetic acid ethyl ester
SpectraBase Compound ID 3uljcEJ2002
InChI InChI=1S/C22H24O7/c1-2-27-21(25)13-28-19-9-15(8-18(24)11-19)10-20-16(12-29-22(20)26)6-14-4-3-5-17(23)7-14/h3-5,7-9,11,16,20,23-24H,2,6,10,12-13H2,1H3/t16-,20+/m0/s1
InChIKey SJPNUVYPGDJYOV-OXJNMPFZSA-N
Mol Weight 400.43 g/mol
Molecular Formula C22H24O7
Exact Mass 400.152203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CjCIwo7zdZM
Name {3-Hydroxy-5-[(3R,4R)-4-(3-hydroxy-benzyl)-2-oxo-tetrahydro-furan-3-yl methyl]-phenoxy}-acetic acid ethyl ester
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Formula C22H24O7
InChI InChI=1S/C22H24O7/c1-2-27-21(25)13-28-19-9-15(8-18(24)11-19)10-20-16(12-29-22(20)26)6-14-4-3-5-17(23)7-14/h3-5,7-9,11,16,20,23-24H,2,6,10,12-13H2,1H3/t16-,20+/m0/s1
InChIKey SJPNUVYPGDJYOV-OXJNMPFZSA-N
Molecular Weight 400.427 g/mol
SMILES Oc1cc(C[C@]2(COC([C@@]2(Cc2cc(cc(c2)O)OCC(=O)OCC)[H])=O)[H])ccc1
SPLASH splash10-0ik9-0190500000-bdb9497e6df1e339adee
Source of Spectrum F-56-1879-30
Synonyms (+-)-(2R,3R)-2-(3-Hydroxy-5-ethoxycarbonylmethoxybenzyl)-3-(3'-hydroxybenzyl)butyrolactone (+-)-2-(3-Hydroxy-5-ethoxycarbonylmethoxybenzyl)-3-(3'-hydroxybenzyl)butyrolactone Ethyl (3-hydroxy-5-{[(3R,4R)-4-(3-hydroxybenzyl)-2-oxotetrahydro-3-furanyl]methyl}phenoxy)acetate
Wiley ID 856303