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(1-alpha,3-beta,4-beta,5-beta)-1,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-en-1-yl]oxy}-3,5-dihydroxycyclohexanecarboxylic Acid

View entire compound with spectra: 1 MS (GC)

(1-alpha,3-beta,4-beta,5-beta)-1,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-en-1-yl]oxy}-3,5-dihydroxycyclohexanecarboxylic Acid
SpectraBase Compound ID aD5BwSiXkC
InChI InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(32)36-23-19(30)11-25(24(34)35,12-20(23)31)37-22(33)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-31H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20+,23-,25-
InChIKey IYXQRCXQQWUFQV-QGKJAKRJSA-N
Mol Weight 516.46 g/mol
Molecular Formula C25H24O12
Exact Mass 516.126776 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LFUghvjWhzs
Name (1-alpha,3-beta,4-beta,5-beta)-1,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-en-1-yl]oxy}-3,5-dihydroxycyclohexanecarboxylic Acid
Alternate Name(s) (1s,3R,4s,5S)-1,4-bis(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-3,5-dihydroxycyclohexane-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24O12
InChI InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(32)36-23-19(30)11-25(24(34)35,12-20(23)31)37-22(33)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-31H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20+,23-,25-
InChIKey IYXQRCXQQWUFQV-QGKJAKRJSA-N
Molecular Weight 516.455 g/mol
SMILES O[C@]1(C[C@](C[C@]([C@]1(OC(\C=C\c1cc(c(cc1)O)O)=O)[H])(O)[H])(C(=O)O)OC(\C=C\c1cc(c(cc1)O)O)=O)[H]
SPLASH splash10-03di-0901000000-05465576be1a9c26a288
Source of Spectrum H-95-1621-3
Wiley ID 1784469