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(3S,5R,6S)-5,14-DIHYDROXY-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, and 1 MS (GC)

(3S,5R,6S)-5,14-DIHYDROXY-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 DSYo8Fe8kar
InChI InChI=1S/C24H25NO4/c1-17-8-2-3-9-18-10-6-14-21(26)23(18)24(28)29-20(16-22(17)27)13-7-12-19-11-4-5-15-25-19/h2-6,10-11,14-15,17,20,22,26-27H,8-9,13,16H2,1H3/b3-2+/t17-,20-,22+/m0/s1
InChIKey OXLZALIEIISCSG-LEKKPTTGSA-N
Mol Weight 391.47 g/mol
Molecular Formula C24H25NO4
Exact Mass 391.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4RpBUI3phbU
Name (3S,5R,6S)-5,14-DIHYDROXY-6-METHYL-3-[3-(PYRIDIN-2-YL)-PROP-2-YNYL]-3,4,5,6,7,10-HEXAHYDRO-1H-2-BENZOXACYCLODODECIN-1-ONE
Compound Number 36
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H25NO4
InChI InChI=1S/C24H25NO4/c1-17-8-2-3-9-18-10-6-14-21(26)23(18)24(28)29-20(16-22(17)27)13-7-12-19-11-4-5-15-25-19/h2-6,10-11,14-15,17,20,22,26-27H,8-9,13,16H2,1H3/b3-2+/t17-,20-,22+/m0/s1
InChIKey OXLZALIEIISCSG-LEKKPTTGSA-N
Literature Reference Author C.HERB,F.DETTNER,M.E.MAIER
Literature Reference Citation EUR.J.ORG.CHEM.,728(2005)
Molecular Weight 391.467 g/mol
Sample ID 42384
Solvent CDCl3