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NEGLSCHISANDRIN-A
SpectraBase Compound ID Cou21F9Sdvb
InChI InChI=1S/C32H36O7/c1-19-15-22-17-24(34-3)29(36-5)31(38-7)27(22)28-23(16-20(19)2)18-25(35-4)30(37-6)32(28)39-26(33)14-13-21-11-9-8-10-12-21/h8-14,17-20H,15-16H2,1-7H3/b14-13+/t19-,20+/m1/s1
InChIKey LANOKSKFZKCCQJ-ICSRWYNCSA-N
Mol Weight 532.6 g/mol
Molecular Formula C32H36O7
Exact Mass 532.246103 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Df4z2okNCWF
Name NEGLSCHISANDRIN-A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H36O7
InChI InChI=1S/C32H36O7/c1-19-15-22-17-24(34-3)29(36-5)31(38-7)27(22)28-23(16-20(19)2)18-25(35-4)30(37-6)32(28)39-26(33)14-13-21-11-9-8-10-12-21/h8-14,17-20H,15-16H2,1-7H3/b14-13+/t19-,20+/m1/s1
InChIKey LANOKSKFZKCCQJ-ICSRWYNCSA-N
Literature Reference Author M.CHEN,X.XU,Z.LIAO,L.DONG,L.LI,C.HUANG
Literature Reference Citation MOLECULES,13,548(2008)
Literature Reference DOI 10.3390/molecules13030548
Molecular Weight 532.634 g/mol
Sample ID 56665
Solvent CDCl3