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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 IylbNZB5f61
Name SALVIANOLIC-ACID-B
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 J.GONG,A.JU,D.ZHOU,D.LI,W.ZHOU,W.GENG,B.LI,L.LI,Y.LIU,Y.HE,M .SONG,Y.WANG,Z.YE,R.
Literature Reference Citation MOLECULES,20,683(2015)
Literature Reference DOI 10.3390/molecules20010683
Molecular Weight 718.625 g/mol
Solvent CD3OD
Source File Reference UWPA2036