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HEITZIETANOID-A;HEITZIETANOID-B;MIXTURE
SpectraBase Compound ID ELglqSECauF
InChI InChI=1S/C44H80O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-44(46)47-41-40-42-36-38-43(45)39-37-42/h36-39,45H,2-35,40-41H2,1H3
InChIKey XXNPILBXOYDBBZ-UHFFFAOYSA-N
Mol Weight 657.1 g/mol
Molecular Formula C44H80O3
Exact Mass 656.610746 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1QMxmZkLFSY
Name HEITZIETANOID-A;HEITZIETANOID-B;MIXTURE
Compound Number 3;4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H80O3
InChI InChI=1S/C44H80O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-44(46)47-41-40-42-36-38-43(45)39-37-42/h36-39,45H,2-35,40-41H2,1H3
InChIKey XXNPILBXOYDBBZ-UHFFFAOYSA-N
Literature Reference Author L.M.MBAZE,J.A.LADO,J.D.WANSI,T.C.SHIAO,D.D.CHIOZEM,M.A.MESAI K,M.I.CHOUDHARY,M.A.
Literature Reference Citation PHYTOCHEM.,70,1442(2009)
Literature Reference DOI 10.1016/j.phytochem.2009.08.007
Molecular Weight 657.117 g/mol
Sample ID 45647
Solvent CDCl3:CD3OD