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(E)-(3S,5R,6S)-3-[(2E)-3-IODOPROP-2-ENYL]-14-METHOXY-5-(METHOXYMETHOXY)-6-METHYL-3,4,5,6,7,10-HEXAHYDRO-1H-2-BENZOXACYCLODODECIN-1-ONE

View entire compound with spectra: 1 NMR

(E)-(3S,5R,6S)-3-[(2E)-3-IODOPROP-2-ENYL]-14-METHOXY-5-(METHOXYMETHOXY)-6-METHYL-3,4,5,6,7,10-HEXAHYDRO-1H-2-BENZOXACYCLODODECIN-1-ONE
SpectraBase Compound ID Lb0iYBi3PhR
InChI InChI=1S/2C22H29IO5/c2*1-16-8-4-5-9-17-10-6-12-19(26-3)21(17)22(24)28-18(11-7-13-23)14-20(16)27-15-25-2/h2*4-7,10,12-13,16,18,20H,8-9,11,14-15H2,1-3H3/b2*5-4+,13-7+/t2*16-,18-,20+/m00/s1
InChIKey AYIGDDOGBSMIGF-GILCOFCKSA-N
Mol Weight 1000.75 g/mol
Molecular Formula C44H58I2O10
Exact Mass 1000.211938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4c9MZK9XSn2
Name (E)-(3S,5R,6S)-3-[(2E)-3-IODOPROP-2-ENYL]-14-METHOXY-5-(METHOXYMETHOXY)-6-METHYL-3,4,5,6,7,10-HEXAHYDRO-1H-2-BENZOXACYCLODODECIN-1-ONE
Compound Number 34
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H58I2O10
InChI InChI=1S/2C22H29IO5/c2*1-16-8-4-5-9-17-10-6-12-19(26-3)21(17)22(24)28-18(11-7-13-23)14-20(16)27-15-25-2/h2*4-7,10,12-13,16,18,20H,8-9,11,14-15H2,1-3H3/b2*5-4+,13-7+/t2*16-,18-,20+/m00/s1
InChIKey AYIGDDOGBSMIGF-GILCOFCKSA-N
Literature Reference Author C.HERB,F.DETTNER,M.E.MAIER
Literature Reference Citation EUR.J.ORG.CHEM.,728(2005)
Molecular Weight 1000.748 g/mol
Sample ID 42382
Solvent CDCl3