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MOLLICELLIN_E

View entire compound with spectra: 1 NMR

MOLLICELLIN_E
SpectraBase Compound ID KGQn0L4bg2f
InChI InChI=1S/C22H19ClO8/c1-8(2)6-12(25)13-10(4)18-21(17(27)20(13)29-5)31-22(28)14-9(3)15(23)16(26)11(7-24)19(14)30-18/h6-7,26-27H,1-5H3
InChIKey JTGLZOMMRQOKBM-UHFFFAOYSA-N
Mol Weight 446.84 g/mol
Molecular Formula C22H19ClO8
Exact Mass 446.076845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1PO8EsJC5sS
Name MOLLICELLIN_E
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H19ClO8
InChI InChI=1S/C22H19ClO8/c1-8(2)6-12(25)13-10(4)18-21(17(27)20(13)29-5)31-22(28)14-9(3)15(23)16(26)11(7-24)19(14)30-18/h6-7,26-27H,1-5H3
InChIKey JTGLZOMMRQOKBM-UHFFFAOYSA-N
Literature Reference Author P.KHUMKOMKHET,S.KANOKMEDHAKUL,K.KANOKMEDHAKUL,C.HAHNVAJANAWO NG,K.SOYTONG
Literature Reference Citation J.NAT.PROD.,72,1487(2009)
Literature Reference DOI 10.1021/np9003189
Molecular Weight 446.841 g/mol
Sample ID 33391
Solvent CDCl3