John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=45cAxF8jVTv SpectraBase Spectrum ID=AE6nYIAkhCk

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CESPITULACTAM_I
SpectraBase Compound ID 45cAxF8jVTv
InChI InChI=1S/C20H29NO3/c1-12-5-6-14-7-8-16-18(23)21-17(20(16,24)19(14,3)4)11-13(2)10-15(22)9-12/h11,13-14,16,24H,1,5-10H2,2-4H3,(H,21,23)/b17-11+/t13?,14-,16?,20?/m1/s1
InChIKey KFRPDESGMXVVHV-HOWPRUBTSA-N
Mol Weight 331.46 g/mol
Molecular Formula C20H29NO3
Exact Mass 331.214744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AE6nYIAkhCk
Name CESPITULACTAM_I
Compound Number 6
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H29NO3
InChI InChI=1S/C20H29NO3/c1-12-5-6-14-7-8-16-18(23)21-17(20(16,24)19(14,3)4)11-13(2)10-15(22)9-12/h11,13-14,16,24H,1,5-10H2,2-4H3,(H,21,23)/b17-11+/t13?,14-,16?,20?/m1/s1
InChIKey KFRPDESGMXVVHV-HOWPRUBTSA-N
Literature Reference Author Y.C.SHEN,Y.B.CHENG,J.KOBAYASHI,T.KUBOTA,Y.TAKAHASHI,Y.MIKAMI ,J.ITO,Y.S.LIN
Literature Reference Citation J.NAT.PROD.,70,1961(2007)
Literature Reference DOI 10.1021/np078011u
Molecular Weight 331.455 g/mol
Sample ID 31215
Solvent CDCl3
SpectraBase Batch ID KMEk3PqESRW