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Lithospermic acid, anion

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Lithospermic acid, anion
SpectraBase Compound ID DWiaF29ykZX
InChI InChI=1S/C27H22O12/c28-15-5-1-12(9-18(15)31)10-20(26(34)35)38-21(33)8-4-13-2-7-17(30)25-22(13)23(27(36)37)24(39-25)14-3-6-16(29)19(32)11-14/h1-9,11,20,23-24,28-32H,10H2,(H,34,35)(H,36,37)/p-1/b8-4+
InChIKey UJZQBMQZMKFSRV-XBXARRHUSA-M
Mol Weight 537.45 g/mol
Molecular Formula C27H21O12
Exact Mass 537.103301 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7j4XcY8Nal7
Name Lithospermic acid, anion
CAS Registry Number 28831-65-4
Comments PH = 5.5, POTASSIUM SALT SOME ASSIGNMENTS OF ADJACENT RESONANCES TENTATIVE
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Formula C27H21O12
InChI InChI=1S/C27H22O12/c28-15-5-1-12(9-18(15)31)10-20(26(34)35)38-21(33)8-4-13-2-7-17(30)25-22(13)23(27(36)37)24(39-25)14-3-6-16(29)19(32)11-14/h1-9,11,20,23-24,28-32H,10H2,(H,34,35)(H,36,37)/p-1/b8-4+
InChIKey UJZQBMQZMKFSRV-XBXARRHUSA-M
Literature Reference C.J. Kelley, R.C. Harruff, M. Carmack, J. Org. Chem. 41, 449 (1976).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O