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(3S,5R,6S)-14-METHOXY-5-(METHOXYMETHOXY)-6-METHYL-3-[3-(PYRIDIN-2-YL)-PROP-2-YNYL]-3,4,5,6,7,10-HEXAHYDRO-1H-2-BENZOXACYCLODODECIN-1-ONE

View entire compound with spectra: 1 NMR

(3S,5R,6S)-14-METHOXY-5-(METHOXYMETHOXY)-6-METHYL-3-[3-(PYRIDIN-2-YL)-PROP-2-YNYL]-3,4,5,6,7,10-HEXAHYDRO-1H-2-BENZOXACYCLODODECIN-1-ONE
SpectraBase Compound ID E6CAYO9vylh
InChI InChI=1S/C27H31NO5/c1-20-10-4-5-11-21-12-8-16-24(31-3)26(21)27(29)33-23(18-25(20)32-19-30-2)15-9-14-22-13-6-7-17-28-22/h4-8,12-13,16-17,20,23,25H,10-11,15,18-19H2,1-3H3/b5-4+/t20-,23-,25+/m0/s1
InChIKey ZLXKLJBWCITSKZ-HEBNGBJNSA-N
Mol Weight 449.55 g/mol
Molecular Formula C27H31NO5
Exact Mass 449.220223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HfpaAH8Wh1T
Name (3S,5R,6S)-14-METHOXY-5-(METHOXYMETHOXY)-6-METHYL-3-[3-(PYRIDIN-2-YL)-PROP-2-YNYL]-3,4,5,6,7,10-HEXAHYDRO-1H-2-BENZOXACYCLODODECIN-1-ONE
Compound Number 35
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H31NO5
InChI InChI=1S/C27H31NO5/c1-20-10-4-5-11-21-12-8-16-24(31-3)26(21)27(29)33-23(18-25(20)32-19-30-2)15-9-14-22-13-6-7-17-28-22/h4-8,12-13,16-17,20,23,25H,10-11,15,18-19H2,1-3H3/b5-4+/t20-,23-,25+/m0/s1
InChIKey ZLXKLJBWCITSKZ-HEBNGBJNSA-N
Literature Reference Author C.HERB,F.DETTNER,M.E.MAIER
Literature Reference Citation EUR.J.ORG.CHEM.,728(2005)
Molecular Weight 449.547 g/mol
Sample ID 42383
Solvent CDCl3