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1,8-DI-O-DODECYL-ALOE-EMODIN

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1,8-DI-O-DODECYL-ALOE-EMODIN
SpectraBase Compound ID HdGOZW8xv3
InChI InChI=1S/C39H58O5/c1-3-5-7-9-11-13-15-17-19-21-26-43-34-25-23-24-32-36(34)39(42)37-33(38(32)41)28-31(30-40)29-35(37)44-27-22-20-18-16-14-12-10-8-6-4-2/h23-25,28-29,40H,3-22,26-27,30H2,1-2H3
InChIKey OJJCQBQCLORNEM-UHFFFAOYSA-N
Mol Weight 606.9 g/mol
Molecular Formula C39H58O5
Exact Mass 606.428425 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JSsfI5vCrs6
Name 1,8-DI-O-DODECYL-ALOE-EMODIN
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H58O5
InChI InChI=1S/C39H58O5/c1-3-5-7-9-11-13-15-17-19-21-26-43-34-25-23-24-32-36(34)39(42)37-33(38(32)41)28-31(30-40)29-35(37)44-27-22-20-18-16-14-12-10-8-6-4-2/h23-25,28-29,40H,3-22,26-27,30H2,1-2H3
InChIKey OJJCQBQCLORNEM-UHFFFAOYSA-N
Literature Reference Author X.R.CUI,K.TAKAHASHI,T.SHIMAMURA,J.KOYANAGI,F.KOMADA,S.SAITO
Literature Reference Citation CHEM.PHARM.BULL.,56,497(2008)
Literature Reference DOI 10.1248/cpb.56.497
Molecular Weight 606.887 g/mol
Sample ID 1498
Solvent CDCl3