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ACOFORINE

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ACOFORINE
SpectraBase Compound ID j3PKw5RVBW
InChI InChI=1S/C28H45NO6/c1-7-29-14-26(15-31-4)10-9-22(33-6)28-18-11-17-20(32-5)13-27(34-8-2,19(25(28)29)12-21(26)28)23(18)24(17)35-16(3)30/h17-25H,7-15H2,1-6H3/t17-,18-,19-,20+,21-,22+,23-,24+,25?,26+,27+,28-/m1/s1
InChIKey MBNBAHNWJUHSQR-UEAVNXSTSA-N
Mol Weight 491.7 g/mol
Molecular Formula C28H45NO6
Exact Mass 491.324688 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5swMRanHXE2
Name ACOFORINE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H45NO6
InChI InChI=1S/C28H45NO6/c1-7-29-14-26(15-31-4)10-9-22(33-6)28-18-11-17-20(32-5)13-27(34-8-2,19(25(28)29)12-21(26)28)23(18)24(17)35-16(3)30/h17-25H,7-15H2,1-6H3/t17-,18-,19-,20+,21-,22+,23-,24+,25?,26+,27+,28-/m1/s1
InChIKey MBNBAHNWJUHSQR-UEAVNXSTSA-N
Literature Reference Author S.W.PELLETIER,B.S.JOSHI,J.A.GLINSKI,H.P.CHOKSHI,S.CHEN,K.BHA NDARY,K.GO
Literature Reference Citation HETEROCYCLES,25,365(1987)
Literature Reference DOI 10.3987/S-1987-01-0365
Molecular Weight 491.668 g/mol
Solvent CDCl3
Source File Reference UWED5273