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2-BETA-(2-(1,3-DIOXOISOINDOLIN-2-YL)-ETHOXY)-CLOVAN-9-ALPHA-OL
SpectraBase Compound ID G4a6ZMPmPGs
InChI InChI=1S/C25H33NO4/c1-23(2)14-20(25-11-9-19(27)24(3,15-25)10-8-18(23)25)30-13-12-26-21(28)16-6-4-5-7-17(16)22(26)29/h4-7,18-20,27H,8-15H2,1-3H3/t18-,19+,20-,24+,25-/m0/s1
InChIKey PEDWJVYKFTVVKB-XTNPKDDESA-N
Mol Weight 411.5 g/mol
Molecular Formula C25H33NO4
Exact Mass 411.240959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IpOpqV1R6ty
Name 2-BETA-[2-(1,3-DIOXOISOINDOLIN-2-YL)-ETHOXY]-CLOVAN-9-ALPHA-OL
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H33NO4
InChI InChI=1S/C25H33NO4/c1-23(2)14-20(25-11-9-19(27)24(3,15-25)10-8-18(23)25)30-13-12-26-21(28)16-6-4-5-7-17(16)22(26)29/h4-7,18-20,27H,8-15H2,1-3H3/t18-,19+,20-,24+,25-/m0/s1
InChIKey PEDWJVYKFTVVKB-XTNPKDDESA-N
Literature Reference Author L.SAIZ-URRA,J.C.RACERO,A.J.MARCIAS-SANCHEZ,R.HERNANDEZ-GALAN ,J.R.HANSON,M.PEREZ-
Literature Reference Citation J.AGR.FOOD.CHEM.,57,2420(2009)
Literature Reference DOI 10.1021/jf8033978
Molecular Weight 411.541 g/mol
Sample ID 67961
Solvent CDCl3