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TETRA-O-BENZYLROSEMARINIC-ACID-BENZYLESTER

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TETRA-O-BENZYLROSEMARINIC-ACID-BENZYLESTER
SpectraBase Compound ID IbnkGMdcxKd
InChI InChI=1S/C53H46O8/c54-52(31-28-40-26-29-47(56-35-41-16-6-1-7-17-41)49(32-40)58-37-43-20-10-3-11-21-43)61-51(53(55)60-39-45-24-14-5-15-25-45)34-46-27-30-48(57-36-42-18-8-2-9-19-42)50(33-46)59-38-44-22-12-4-13-23-44/h1-33,51H,34-39H2/b31-28+
InChIKey JBLNZGUYMGXYDX-CCFHIKDMSA-N
Mol Weight 810.9 g/mol
Molecular Formula C53H46O8
Exact Mass 810.319268 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5jQnZBLUMT4
Name TETRA-O-BENZYLROSEMARINIC-ACID-BENZYLESTER
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H46O8
InChI InChI=1S/C53H46O8/c54-52(31-28-40-26-29-47(56-35-41-16-6-1-7-17-41)49(32-40)58-37-43-20-10-3-11-21-43)61-51(53(55)60-39-45-24-14-5-15-25-45)34-46-27-30-48(57-36-42-18-8-2-9-19-42)50(33-46)59-38-44-22-12-4-13-23-44/h1-33,51H,34-39H2/b31-28+
InChIKey JBLNZGUYMGXYDX-CCFHIKDMSA-N
Literature Reference Author E.REIMANN,H.J.MAAS,T.PFLUG
Literature Reference Citation MH.CHEM.,128,995(1997)
Literature Reference DOI 10.1007/BF00806966
Molecular Weight 810.943 g/mol
Solvent CDCl3
Source File Reference UWRK2832