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7-BETA-HYDROXYCATUABINE-E;3-ALPHA,6-BETA-DI-(1-METHYL-1H-PYRROL-2-YLCARBONYLOXY)-7-BETA-HYDROXYTROPANE
SpectraBase Compound ID 5U1M9uLvaAu
InChI InChI=1S/C20H25N3O5/c1-21-8-4-6-13(21)19(25)27-12-10-15-17(24)18(16(11-12)23(15)3)28-20(26)14-7-5-9-22(14)2/h4-9,12,15-18,24H,10-11H2,1-3H3/t12-,15?,16?,17-,18+/m1/s1
InChIKey WIKSORYWEPWYTL-BLPPDKFNSA-N
Mol Weight 387.44 g/mol
Molecular Formula C20H25N3O5
Exact Mass 387.179421 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1O5bVgwmWoO
Name 7-BETA-HYDROXYCATUABINE-E;3-ALPHA,6-BETA-DI-(1-METHYL-1H-PYRROL-2-YLCARBONYLOXY)-7-BETA-HYDROXYTROPANE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H25N3O5
InChI InChI=1S/C20H25N3O5/c1-21-8-4-6-13(21)19(25)27-12-10-15-17(24)18(16(11-12)23(15)3)28-20(26)14-7-5-9-22(14)2/h4-9,12,15-18,24H,10-11H2,1-3H3/t12-,15?,16?,17-,18+/m1/s1
InChIKey WIKSORYWEPWYTL-BLPPDKFNSA-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.,66,497(2003)
Literature Reference DOI 10.1021/np020512m
Molecular Weight 387.436 g/mol
Solvent CDCl3
Source File Reference UWSI7596