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PACHYCLADIN_C;3,6-DIACETYLCLADIELLISIN
SpectraBase Compound ID vJICWVX8cD
InChI InChI=1S/C22H34O4/c1-12(2)16-8-7-13(3)19-18-11-14(4)17(25-15(5)23)9-10-22(6,24)21(26-18)20(16)19/h12,16-21,24H,3-4,7-11H2,1-2,5-6H3/t16-,17+,18-,19-,20-,21-,22-/m1/s1
InChIKey CDRWIAOABOJFQY-CZIVXSDSSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LridEsYTEkJ
Name PACHYCLADIN_C;3,6-DIACETYLCLADIELLISIN
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-12(2)16-8-7-13(3)19-18-11-14(4)17(25-15(5)23)9-10-22(6,24)21(26-18)20(16)19/h12,16-21,24H,3-4,7-11H2,1-2,5-6H3/t16-,17+,18-,19-,20-,21-,22-/m1/s1
InChIKey CDRWIAOABOJFQY-CZIVXSDSSA-N
Literature Reference Author H.M.HASSAN,M.A.KHANFAR,A.Y.ELNAGAR,R.MOHAMMED,L.A.SHAALA,D.T .A.YOUSSEF,M.S.HIFNA
Literature Reference Citation J.NAT.PROD.,73,848(2010)
Literature Reference DOI 10.1021/np900787p
Molecular Weight 362.510 g/mol
Sample ID 35485
Solvent CDCl3