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3-O-METHYLCALOPOCARPIN
SpectraBase Compound ID AkbCXnmcETE
InChI InChI=1S/C21H22O4/c1-12(2)4-5-13-8-16-19(10-18(13)23-3)24-11-17-15-7-6-14(22)9-20(15)25-21(16)17/h4,6-10,17,21-22H,5,11H2,1-3H3/t17-,21-/m1/s1
InChIKey FZFGGNNUYSILSL-DYESRHJHSA-N
Mol Weight 338.4 g/mol
Molecular Formula C21H22O4
Exact Mass 338.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5lTKJ3FC30S
Name 3-O-METHYLCALOPOCARPIN
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O4
InChI InChI=1S/C21H22O4/c1-12(2)4-5-13-8-16-19(10-18(13)23-3)24-11-17-15-7-6-14(22)9-20(15)25-21(16)17/h4,6-10,17,21-22H,5,11H2,1-3H3/t17-,21-/m1/s1
InChIKey FZFGGNNUYSILSL-DYESRHJHSA-N
Literature Reference Author T.C.MCKEE,H.R.BOKESCH,J.L.MCCORMICK,M.A.RASHID,D.SPIELVOGEL, K.R.GUSTAFSON,M.M.AL
Literature Reference Citation J.NAT.PROD.,60,431(1997)
Literature Reference DOI 10.1021/np970031g
Molecular Weight 338.403 g/mol
Solvent CD3OD
Source File Reference UWMZ56