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(E,3S)-4-formyl-3-(2-ketoethyl)hex-4-enoic acid [(1S,2R,3R,5R)-3-[(E,3S)-4-formyl-3-(2-ketoethyl)hex-4-enoyl]oxy-5-(2-hydroxy-1-methylol-ethyl)-2-methyl-cyclopentyl]methyl ester

View entire compound with spectra: 1 NMR

(E,3S)-4-formyl-3-(2-ketoethyl)hex-4-enoic acid [(1S,2R,3R,5R)-3-[(E,3S)-4-formyl-3-(2-ketoethyl)hex-4-enoyl]oxy-5-(2-hydroxy-1-methylol-ethyl)-2-methyl-cyclopentyl]methyl ester
SpectraBase Compound ID HXHbgHeq3XI
InChI InChI=1S/C28H40O10/c1-4-19(13-31)21(6-8-29)10-27(35)37-17-25-18(3)26(12-24(25)23(15-33)16-34)38-28(36)11-22(7-9-30)20(5-2)14-32/h4-5,8-9,13-14,18,21-26,33-34H,6-7,10-12,15-17H2,1-3H3/b19-4-,20-5-/t18-,21+,22+,24+,25-,26-/m1/s1
InChIKey APYKQQYPPDQYHP-BTVOIWEQSA-N
Mol Weight 536.6 g/mol
Molecular Formula C28H40O10
Exact Mass 536.262147 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FJVbnP5sJ3j
Name (E,3S)-4-formyl-3-(2-ketoethyl)hex-4-enoic acid [(1S,2R,3R,5R)-3-[(E,3S)-4-formyl-3-(2-ketoethyl)hex-4-enoyl]oxy-5-(2-hydroxy-1-methylol-ethyl)-2-methyl-cyclopentyl]methyl ester
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H40O10
InChI InChI=1S/C28H40O10/c1-4-19(13-31)21(6-8-29)10-27(35)37-17-25-18(3)26(12-24(25)23(15-33)16-34)38-28(36)11-22(7-9-30)20(5-2)14-32/h4-5,8-9,13-14,18,21-26,33-34H,6-7,10-12,15-17H2,1-3H3/b19-4-,20-5-/t18-,21+,22+,24+,25-,26-/m1/s1
InChIKey APYKQQYPPDQYHP-BTVOIWEQSA-N
Literature Reference Author B.SOMANADHAN,U.WAGNER_SMITT,V.GEORGE,P.PUSHPANGADAN,S.RAJASE KHARAN,J.DUUS
Literature Reference Citation PLANTA.MED.,64,246(1998)
Literature Reference DOI 10.1055/s-2006-957419
Molecular Weight 536.620 g/mol
Solvent CDCl3
Source File Reference UIAP1105