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LITHOSPERMIC-ACID-B

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LITHOSPERMIC-ACID-B
SpectraBase Compound ID 5YrUotUjUml
InChI InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31+,32-/m1/s1
InChIKey SNKFFCBZYFGCQN-VWUOOIFGSA-N
Mol Weight 718.6 g/mol
Molecular Formula C36H30O16
Exact Mass 718.153385 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F9qOerIjdPI
Name LITHOSPERMIC-ACID-B
Compound Number LSB
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H30O16
InChI InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31+,32-/m1/s1
InChIKey SNKFFCBZYFGCQN-VWUOOIFGSA-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 718.625 g/mol
Source File Reference UWLU74278