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BETA-HYDROXYGERAMBULLAL;(E)-3-(METHYLSULFONYL)-PROPENOIC-ACID-(2E,6E)-2-[4-(3,7-DIMETHYL-8-OXO-2,6-OCTADIENYLOXY)-PHENYL]-2-HYDROXYETHYL-AMIDE

View entire compound with spectra: 1 NMR

BETA-HYDROXYGERAMBULLAL;(E)-3-(METHYLSULFONYL)-PROPENOIC-ACID-(2E,6E)-2-[4-(3,7-DIMETHYL-8-OXO-2,6-OCTADIENYLOXY)-PHENYL]-2-HYDROXYETHYL-AMIDE
SpectraBase Compound ID GDSmat5FwNV
InChI InChI=1S/C22H29NO6S/c1-17(5-4-6-18(2)16-24)11-13-29-20-9-7-19(8-10-20)21(25)15-23-22(26)12-14-30(3,27)28/h6-12,14,16,21,25H,4-5,13,15H2,1-3H3,(H,23,26)/b14-12+,17-11+,18-6+/t21-/m0/s1
InChIKey ZHYIPTBPSLKFJK-DKOGWASHSA-N
Mol Weight 435.54 g/mol
Molecular Formula C22H29NO6S
Exact Mass 435.171559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G91KP2d66Qm
Name BETA-HYDROXYGERAMBULLAL;(E)-3-(METHYLSULFONYL)-PROPENOIC-ACID-(2E,6E)-2-[4-(3,7-DIMETHYL-8-OXO-2,6-OCTADIENYLOXY)-PHENYL]-2-HYDROXYETHYL-AMIDE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H29NO6S
InChI InChI=1S/C22H29NO6S/c1-17(5-4-6-18(2)16-24)11-13-29-20-9-7-19(8-10-20)21(25)15-23-22(26)12-14-30(3,27)28/h6-12,14,16,21,25H,4-5,13,15H2,1-3H3,(H,23,26)/b14-12+,17-11+,18-6+/t21-/m0/s1
InChIKey ZHYIPTBPSLKFJK-DKOGWASHSA-N
Literature Reference Author O.HOFER,H.GREGER,B.LUKASEDER,S.VAJRODAYA,M.BACHER
Literature Reference Citation PHYTOCHEM.,54,207(2000)
Literature Reference DOI 10.1016/S0031-9422(00)00011-X
Molecular Weight 435.535 g/mol
Solvent Unknown
Source File Reference UWLU1248