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

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1,8-DI-O-OCTADECYL-ALOE-EMODIN
SpectraBase Compound ID 7zpK8nDNYCi
InChI InChI=1S/C51H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-55-46-37-35-36-44-48(46)51(54)49-45(50(44)53)40-43(42-52)41-47(49)56-39-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-37,40-41,52H,3-34,38-39,42H2,1-2H3
InChIKey ADTLJJDKTURESR-UHFFFAOYSA-N
Mol Weight 775.2 g/mol
Molecular Formula C51H82O5
Exact Mass 774.616226 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JXsSJw4TTHK
Name 1,8-DI-O-OCTADECYL-ALOE-EMODIN
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H82O5
InChI InChI=1S/C51H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-55-46-37-35-36-44-48(46)51(54)49-45(50(44)53)40-43(42-52)41-47(49)56-39-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-37,40-41,52H,3-34,38-39,42H2,1-2H3
InChIKey ADTLJJDKTURESR-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 775.209 g/mol
Sample ID 1499
Solvent CDCl3