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(3S,5R,6S)-14-METHOXY-5-(METHOXYMETHOXY)-6-METHYL-3-(PROP-2-YNYL)-3,4,5,6,7,10-HEXAHYDRO-1H-2-BENZOXACYCLODODECIN-1-ONE
SpectraBase Compound ID GRYTO3iSYKy
InChI InChI=1S/C22H28O5/c1-5-9-18-14-20(26-15-24-3)16(2)10-6-7-11-17-12-8-13-19(25-4)21(17)22(23)27-18/h1,6-8,12-13,16,18,20H,9-11,14-15H2,2-4H3/b7-6+/t16-,18-,20+/m0/s1
InChIKey MEERQWOAZZRLSW-ZJDHVTHPSA-N
Mol Weight 372.46 g/mol
Molecular Formula C22H28O5
Exact Mass 372.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JoYxwrafAM0
Name (3S,5R,6S)-14-METHOXY-5-(METHOXYMETHOXY)-6-METHYL-3-(PROP-2-YNYL)-3,4,5,6,7,10-HEXAHYDRO-1H-2-BENZOXACYCLODODECIN-1-ONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28O5
InChI InChI=1S/C22H28O5/c1-5-9-18-14-20(26-15-24-3)16(2)10-6-7-11-17-12-8-13-19(25-4)21(17)22(23)27-18/h1,6-8,12-13,16,18,20H,9-11,14-15H2,2-4H3/b7-6+/t16-,18-,20+/m0/s1
InChIKey MEERQWOAZZRLSW-ZJDHVTHPSA-N
Literature Reference Author C.HERB,F.DETTNER,M.E.MAIER
Literature Reference Citation EUR.J.ORG.CHEM.,728(2005)
Molecular Weight 372.461 g/mol
Sample ID 42359
Solvent CDCl3