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BENCHEQUIOL

View entire compound with spectra: 1 NMR

BENCHEQUIOL
SpectraBase Compound ID HKfCFonlLiu
InChI InChI=1S/C21H22O7/c1-24-16-5-4-14(9-18(16)25-2)10-21(23)15(11-26-20(21)22)7-13-3-6-17-19(8-13)28-12-27-17/h3-6,8-9,15,23H,7,10-12H2,1-2H3/t15-,21-/m1/s1
InChIKey XQAPIFWFLMEZDZ-QVKFZJNVSA-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 1du5yTR0E4B
Name BENCHEQUIOL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O7
InChI InChI=1S/C21H22O7/c1-24-16-5-4-14(9-18(16)25-2)10-21(23)15(11-26-20(21)22)7-13-3-6-17-19(8-13)28-12-27-17/h3-6,8-9,15,23H,7,10-12H2,1-2H3/t15-,21-/m1/s1
InChIKey XQAPIFWFLMEZDZ-QVKFZJNVSA-N
Literature Reference Author R.ESTEVEZ-REYES,A.ESTEVEZ-BRAUN,A.G.GONZALEZ
Literature Reference Citation J.NAT.PROD.,56,1177(1993)
Literature Reference DOI 10.1021/np50097a026
Molecular Weight 386.401 g/mol
Solvent CDCl3
Source File Reference UWTS800