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(+)-TRANS-4'-ACETYL-3'-TIGLOYL-KHELLACTONE
SpectraBase Compound ID 6aIqJmSAlq6
InChI InChI=1S/C21H22O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6+/t18-,19+/m1/s1
InChIKey XGPBRZDOJDLKOT-KNXUDURGSA-N
Mol Weight 386.4 g/mol
Molecular Formula C21H22O7
Exact Mass 386.136553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GRebHVu0CSf
Name (+)-TRANS-4'-ACETYL-3'-TIGLOYL-KHELLACTONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O7
InChI InChI=1S/C21H22O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6+/t18-,19+/m1/s1
InChIKey XGPBRZDOJDLKOT-KNXUDURGSA-N
Literature Reference Author C.Y.DUH,S.K.WANG,Y.C.WU
Literature Reference Citation PHYTOCHEM.,30,2812(1991)
Literature Reference DOI 10.1016/0031-9422(91)85156-T
Molecular Weight 386.401 g/mol
Solvent CDCl3
Source File Reference UWVN30941