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3-METHYL-LITHOSPERMIC-ACID-B

View entire compound with spectra: 1 NMR

3-METHYL-LITHOSPERMIC-ACID-B
SpectraBase Compound ID D465czyX1Ru
InChI InChI=1S/C37H32O16/c1-50-27-16-20(5-9-23(27)40)33-32(37(49)52-29(36(47)48)15-18-3-8-22(39)26(43)13-18)31-19(4-10-24(41)34(31)53-33)6-11-30(44)51-28(35(45)46)14-17-2-7-21(38)25(42)12-17/h2-13,16,28-29,32-33,38-43H,14-15H2,1H3,(H,45,46)(H,47,48)/b11-6+/t28-,29-,32+,33-/m1/s1
InChIKey IXMLDCRKNQAJDR-NQBFDTSGSA-N
Mol Weight 732.6 g/mol
Molecular Formula C37H32O16
Exact Mass 732.169035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HR1fN89dwTi
Name 3-METHYL-LITHOSPERMIC-ACID-B
Compound Number M1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H32O16
InChI InChI=1S/C37H32O16/c1-50-27-16-20(5-9-23(27)40)33-32(37(49)52-29(36(47)48)15-18-3-8-22(39)26(43)13-18)31-19(4-10-24(41)34(31)53-33)6-11-30(44)51-28(35(45)46)14-17-2-7-21(38)25(42)12-17/h2-13,16,28-29,32-33,38-43H,14-15H2,1H3,(H,45,46)(H,47,48)/b11-6+/t28-,29-,32+,33-/m1/s1
InChIKey IXMLDCRKNQAJDR-NQBFDTSGSA-N
Literature Reference Author Y.ZHANG,T.AKAO,N.NAKAMURA,M.HATTORI,X.W.YANG,C.L.DUAN,J.X.LI U
Literature Reference Citation DRUG.MET.DISP.,32,752(2004)
Literature Reference DOI 10.1124/dmd.32.7.752
Molecular Weight 732.651 g/mol
Source File Reference UWLU74275