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methyl (3S)-3-[(1R,2S,3S,7E,11S,12R,14S)-2,12-dihydroxy-3,7,11-trimethyl-15-oxabicyclo[9.3.1]pentadec-7-en-14-yl]-4,5-dihydropyrazole-3-carboxylate
SpectraBase Compound ID 3eJa1zTefAy
InChI InChI=1S/C22H36N2O5/c1-14-7-5-9-15(2)18(26)19-16(22(20(27)28-4)11-12-23-24-22)13-17(25)21(3,29-19)10-6-8-14/h8,15-19,25-26H,5-7,9-13H2,1-4H3/b14-8+/t15-,16+,17+,18-,19+,21-,22-/m0/s1
InChIKey JXTBDMHBMVUUGM-DOQHUNGZSA-N
Mol Weight 408.5 g/mol
Molecular Formula C22H36N2O5
Exact Mass 408.262422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Za1siTcBBr
Name methyl (3S)-3-[(1R,2S,3S,7E,11S,12R,14S)-2,12-dihydroxy-3,7,11-trimethyl-15-oxabicyclo[9.3.1]pentadec-7-en-14-yl]-4,5-dihydropyrazole-3-carboxylate
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H36N2O5
InChI InChI=1S/C22H36N2O5/c1-14-7-5-9-15(2)18(26)19-16(22(20(27)28-4)11-12-23-24-22)13-17(25)21(3,29-19)10-6-8-14/h8,15-19,25-26H,5-7,9-13H2,1-4H3/b14-8+/t15-,16+,17+,18-,19+,21-,22-/m0/s1
InChIKey JXTBDMHBMVUUGM-DOQHUNGZSA-N
Literature Reference Author A.D.RODRIGUEZ,I.C.PINA,A.L.ACOSTA,C.RAMIREZ,J.J.SOTO
Literature Reference Citation J.ORG.CHEM.,66,648(2001)
Literature Reference DOI 10.1021/jo001025j
Molecular Weight 408.538 g/mol
Solvent CDCl3
Source File Reference UWMS27554