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VACCININE_B;6-ALPHA-HYDROXY-4-ALPHA-[(1-METHYL-1-H-PYRROL-2-YL)-CARBANOYL]-TROPANE
SpectraBase Compound ID CKKeQ0Vwhov
InChI InChI=1S/C14H20N2O3/c1-15-7-3-4-10(15)14(18)19-12-6-5-9-8-11(17)13(12)16(9)2/h3-4,7,9,11-13,17H,5-6,8H2,1-2H3/t9-,11-,12+,13+/m0/s1
InChIKey MXXYWADKIZHYBS-FTYKPCCVSA-N
Mol Weight 264.32 g/mol
Molecular Formula C14H20N2O3
Exact Mass 264.147393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1FsxfFkrlXL
Name VACCININE_B;6-ALPHA-HYDROXY-4-ALPHA-[(1-METHYL-1-H-PYRROL-2-YL)-CARBANOYL]-TROPANE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H20N2O3
InChI InChI=1S/C14H20N2O3/c1-15-7-3-4-10(15)14(18)19-12-6-5-9-8-11(17)13(12)16(9)2/h3-4,7,9,11-13,17H,5-6,8H2,1-2H3/t9-,11-,12+,13+/m0/s1
InChIKey MXXYWADKIZHYBS-FTYKPCCVSA-N
Literature Reference Author B.ZANOLARI,D.GUILET,A.MARSTON,E.F.QUEIROZ,M.D.Q.PAULO,K.HOST ETTMANN
Literature Reference Citation J.NAT.PROD.,68,1153(2005)
Literature Reference DOI 10.1021/np040144h
Molecular Weight 264.324 g/mol
Solvent CDCl3
Source File Reference UWMZ12181