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TETRA-O-BENZYLROSEMARINIC-ACID-METHYLESTER

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TETRA-O-BENZYLROSEMARINIC-ACID-METHYLESTER
SpectraBase Compound ID 7B8DWGHYP8T
InChI InChI=1S/C47H42O8/c1-50-47(49)45(30-40-23-26-42(52-32-37-16-8-3-9-17-37)44(29-40)54-34-39-20-12-5-13-21-39)55-46(48)27-24-35-22-25-41(51-31-36-14-6-2-7-15-36)43(28-35)53-33-38-18-10-4-11-19-38/h2-29,45H,30-34H2,1H3/b27-24+
InChIKey NYRPMJQHLYLLAX-SOYKGTTHSA-N
Mol Weight 734.8 g/mol
Molecular Formula C47H42O8
Exact Mass 734.287968 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9lCrZRsn3S6
Name TETRA-O-BENZYLROSEMARINIC-ACID-METHYLESTER
Compound Number 9A
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H42O8
InChI InChI=1S/C47H42O8/c1-50-47(49)45(30-40-23-26-42(52-32-37-16-8-3-9-17-37)44(29-40)54-34-39-20-12-5-13-21-39)55-46(48)27-24-35-22-25-41(51-31-36-14-6-2-7-15-36)43(28-35)53-33-38-18-10-4-11-19-38/h2-29,45H,30-34H2,1H3/b27-24+
InChIKey NYRPMJQHLYLLAX-SOYKGTTHSA-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 734.846 g/mol
Solvent CDCl3
Source File Reference UWRK2831