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CANELLIN_A
SpectraBase Compound ID EhTbVEPWDbf
InChI InChI=1S/C21H28O6/c1-5-8-20-10-16(24-3)18(22)21(25-4,19(20)23)17(12(20)2)13-6-7-14-15(9-13)27-11-26-14/h5-7,9,12,16-19,22-23H,1,8,10-11H2,2-4H3/t12-,16-,17+,18+,19?,20-,21+/m0/s1
InChIKey ARPWINJFGMKMTO-QNOHSERESA-N
Mol Weight 376.45 g/mol
Molecular Formula C21H28O6
Exact Mass 376.188589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4eG6dUOasvb
Name CANELLIN_A
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O6
InChI InChI=1S/C21H28O6/c1-5-8-20-10-16(24-3)18(22)21(25-4,19(20)23)17(12(20)2)13-6-7-14-15(9-13)27-11-26-14/h5-7,9,12,16-19,22-23H,1,8,10-11H2,2-4H3/t12-,16-,17+,18+,19?,20-,21+/m0/s1
InChIKey ARPWINJFGMKMTO-QNOHSERESA-N
Literature Reference Author V.S.P.CHATURVEDULA,S.M.HECHT,Z.GAO,S.H.JONES,X.FENG,D.G.I.KI NGSTON
Literature Reference Citation J.NAT.PROD.,67,964(2004)
Literature Reference DOI 10.1021/np030507y
Molecular Weight 376.450 g/mol
Solvent CDCl3
Source File Reference UWMZ7262