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2-Propenoic acid, 3-phenyl-, 2-[(benzoyloxy)methyl]-6-hydroxy-2,4-cyclohexadien-1-yl ester, [1R-[1.alpha.(E),6.beta.]]-
SpectraBase Compound ID GyxQjvhxRzr
InChI InChI=1S/C23H20O5/c24-20-13-7-12-19(16-27-23(26)18-10-5-2-6-11-18)22(20)28-21(25)15-14-17-8-3-1-4-9-17/h1-15,20,22,24H,16H2/b15-14+/t20-,22-/m1/s1
InChIKey AHNAVTOGGBRTEK-STNJVZKESA-N
Mol Weight 376.41 g/mol
Molecular Formula C23H20O5
Exact Mass 376.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iev55wcEJua
Name 2-Propenoic acid, 3-phenyl-, 2-[(benzoyloxy)methyl]-6-hydroxy-2,4-cyclohexadien-1-yl ester, [1R-[1.alpha.(E),6.beta.]]-
CAS Registry Number 99232-69-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20O5
InChI InChI=1S/C23H20O5/c24-20-13-7-12-19(16-27-23(26)18-10-5-2-6-11-18)22(20)28-21(25)15-14-17-8-3-1-4-9-17/h1-15,20,22,24H,16H2/b15-14+/t20-,22-/m1/s1
InChIKey AHNAVTOGGBRTEK-STNJVZKESA-N
Molecular Weight 376.408 g/mol
SMILES O[C@]1([C@@](C(=CC=C1)COC(=O)c1ccccc1)(OC(\C=C\c1ccccc1)=O)[H])[H]
SPLASH splash10-0a59-0900000000-153ea788d2e1235846ad
Source of Spectrum J-50-5076-3
Synonyms ((5R,6R)-5-hydroxy-6-{[(2E)-3-phenyl-2-propenoyl]oxy}-1,3-cyclohexadien-1-yl)methyl benzoate (2R)-trans-2-[(E)-cinnamoyloxy]-3-hydroxy-1-[benzoyloxy)methyl]cyclohexa-4,6-diene benzoic acid [(5R,6R)-5-hydroxy-6-[(E)-1-oxo-3-phenylprop-2-enoxy]-1-cyclohexa-1,3-dienyl]methyl ester [(5R,6R)-5-hydroxy-6-[(E)-3-phenylprop-2-enoyl]oxycyclohexa-1,3-dien-1-yl]methyl benzoate [(5R,6R)-5-hydroxy-6-[(E)-3-phenylprop-2-enoyl]oxy-cyclohexa-1,3-dien-1-yl]methyl benzoate [(5R,6R)-5-oxidanyl-6-[(E)-3-phenylprop-2-enoyl]oxy-cyclohexa-1,3-dien-1-yl]methyl benzoate
Wiley ID 1357920