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CALANOLIDE-E2

View entire compound with spectra: 1 NMR, and 2 MS (GC)

CALANOLIDE-E2
SpectraBase Compound ID 8OWI2RGbtpY
InChI InChI=1S/C22H28O6/c1-6-7-13-10-15(24)27-21-16(13)20-14(8-9-22(4,5)28-20)19(26)17(21)18(25)11(2)12(3)23/h8-9,11-13,23,26H,6-7,10H2,1-5H3
InChIKey QVXVUACNNIWBIU-UHFFFAOYSA-N
Mol Weight 388.46 g/mol
Molecular Formula C22H28O6
Exact Mass 388.188589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Vw4CtVzciP
Name CALANOLIDE-E2
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28O6
InChI InChI=1S/C22H28O6/c1-6-7-13-10-15(24)27-21-16(13)20-14(8-9-22(4,5)28-20)19(26)17(21)18(25)11(2)12(3)23/h8-9,11-13,23,26H,6-7,10H2,1-5H3
InChIKey QVXVUACNNIWBIU-UHFFFAOYSA-N
Literature Reference Author T.C.MCKEE,R.W.FULLER,C.D.COVINGTON,J.H.CARDELLINA,R.J.GULAKO WSKI,B.J.KREPPS,J.B.
Literature Reference Citation J.NAT.PROD.,59,754(1996)
Literature Reference DOI 10.1021/np9603784
Molecular Weight 388.461 g/mol
Solvent CDCl3
Source File Reference UWVP807