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BICYCLOALTERNARENE_D

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BICYCLOALTERNARENE_D
SpectraBase Compound ID JJ5pg1eRldH
InChI InChI=1S/C21H30O6/c1-13(6-4-8-14(2)20(24)25)7-5-11-21(3,26)18-12-15-17(27-18)10-9-16(22)19(15)23/h7-8,16,18,22,26H,4-6,9-12H2,1-3H3,(H,24,25)/b13-7+,14-8+/t16-,18+,21+/m1/s1
InChIKey JWYZXXJKVUAVGS-NQKOLOIPSA-N
Mol Weight 378.47 g/mol
Molecular Formula C21H30O6
Exact Mass 378.204239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ag3J2zTwpXZ
Name BICYCLOALTERNARENE_D
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O6
InChI InChI=1S/C21H30O6/c1-13(6-4-8-14(2)20(24)25)7-5-11-21(3,26)18-12-15-17(27-18)10-9-16(22)19(15)23/h7-8,16,18,22,26H,4-6,9-12H2,1-3H3,(H,24,25)/b13-7+,14-8+/t16-,18+,21+/m1/s1
InChIKey JWYZXXJKVUAVGS-NQKOLOIPSA-N
Literature Reference Author G.ZHANG,G.WU,T.ZHU,T.KURTAN,A.MANDI,J.JIAO,J.LI,X.QI,Q.GU,D. LI
Literature Reference Citation J.NAT.PROD.,76,1946(2013)
Literature Reference DOI 10.1021/np4005757
Molecular Weight 378.466 g/mol
Solvent DMSO-D6
Source File Reference UWMZ43354