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CESPITULARIN_K
SpectraBase Compound ID AVQYBscskuG
InChI InChI=1S/C22H28O4/c1-12-6-7-15-8-9-17-19(22(15,4)5)21(25)18(20(17)24)13(2)11-16(10-12)26-14(3)23/h11,15-16,18H,1,6-10H2,2-5H3/b13-11+/t15-,16+,18+/m1/s1
InChIKey VJHLWHCWWJFDGL-MBLMHDNXSA-N
Mol Weight 356.46 g/mol
Molecular Formula C22H28O4
Exact Mass 356.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ITuWgDai516
Name CESPITULARIN_K
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28O4
InChI InChI=1S/C22H28O4/c1-12-6-7-15-8-9-17-19(22(15,4)5)21(25)18(20(17)24)13(2)11-16(10-12)26-14(3)23/h11,15-16,18H,1,6-10H2,2-5H3/b13-11+/t15-,16+,18+/m1/s1
InChIKey VJHLWHCWWJFDGL-MBLMHDNXSA-N
Literature Reference Author C.Y.DUH,C.H.LI,S.K.WANG,C.F.DAI
Literature Reference Citation J.NAT.PROD.,69,1188(2006)
Literature Reference DOI 10.1021/np0505465
Molecular Weight 356.462 g/mol
Solvent CDCl3
Source File Reference UWMZ15572