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(2S)-2-Hydroxy-3-[4'-hydroxy-3'-methoxy-5'-oxotetrahydrofuran-2'-yl)ethyl-(2E)-3-(4"-hydroxyphenyl)prop-2-enoate
SpectraBase Compound ID EWtxZ7zhsZP
InChI InChI=1S/C16H18O8/c1-22-15-13(20)16(21)24-14(15)11(18)8-23-12(19)7-4-9-2-5-10(17)6-3-9/h2-7,11,13-15,17-18,20H,8H2,1H3/b7-4+/t11?,13-,14+,15+/m1/s1
InChIKey MNYIDBICFNWHEG-NNISVWQBSA-N
Mol Weight 338.31 g/mol
Molecular Formula C16H18O8
Exact Mass 338.100168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5SuuSeF9ZHD
Name (2S)-2-Hydroxy-3-[4'-hydroxy-3'-methoxy-5'-oxotetrahydrofuran-2'-yl)ethyl-(2E)-3-(4"-hydroxyphenyl)prop-2-enoate
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Formula C16H18O8
InChI InChI=1S/C16H18O8/c1-22-15-13(20)16(21)24-14(15)11(18)8-23-12(19)7-4-9-2-5-10(17)6-3-9/h2-7,11,13-15,17-18,20H,8H2,1H3/b7-4+/t11?,13-,14+,15+/m1/s1
InChIKey MNYIDBICFNWHEG-NNISVWQBSA-N
Molecular Weight 338.312 g/mol
SMILES O[C@]1(C(O[C@@](C(COC(\C=C\c2ccc(cc2)O)=O)O)([C@]1(OC)[H])[H])=O)[H]
SPLASH splash10-01ot-1900000000-a30a70d32822d0fd5027
Source of Spectrum H-91-142-3
Synonyms Bombalin (E)-3-(4-hydroxyphenyl)-2-propenoic acid [2-hydroxy-2-[(2S,3S,4R)-4-hydroxy-3-methoxy-5-oxo-2-oxolanyl]ethyl] ester [2-hydroxy-2-[(2S,3S,4R)-4-hydroxy-3-methoxy-5-oxooxolan-2-yl]ethyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [2-hydroxy-2-[(2S,3S,4R)-4-hydroxy-3-methoxy-5-oxo-tetrahydrofuran-2-yl]ethyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [2-[(2S,3S,4R)-3-methoxy-4-oxidanyl-5-oxidanylidene-oxolan-2-yl]-2-oxidanyl-ethyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Wiley ID 1693535