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CIMICIFUGIC-ACID-A

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CIMICIFUGIC-ACID-A
SpectraBase Compound ID 2a7P5UxTJwf
InChI InChI=1S/C21H20O11/c1-31-16-9-11(2-6-14(16)23)4-7-17(25)32-18(19(26)27)21(30,20(28)29)10-12-3-5-13(22)15(24)8-12/h2-9,18,22-24,30H,10H2,1H3,(H,26,27)(H,28,29)/b7-4+/t18-,21+/m1/s1
InChIKey LIJMMUDJSMCVDJ-HYKPEHDJSA-N
Mol Weight 448.38 g/mol
Molecular Formula C21H20O11
Exact Mass 448.100561 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GaJxhqqW961
Name CIMICIFUGIC-ACID-A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20O11
InChI InChI=1S/C21H20O11/c1-31-16-9-11(2-6-14(16)23)4-7-17(25)32-18(19(26)27)21(30,20(28)29)10-12-3-5-13(22)15(24)8-12/h2-9,18,22-24,30H,10H2,1H3,(H,26,27)(H,28,29)/b7-4+/t18-,21+/m1/s1
InChIKey LIJMMUDJSMCVDJ-HYKPEHDJSA-N
Literature Reference Author M.TAKAHIRA,A.KUSANO,M.SHIBANO,G.KUSANO,N.SAKURAI,M.NAGAI,T.M IYASE
Literature Reference Citation CHEM.PHARM.BULL.,46,362(1998)
Literature Reference DOI 10.1248/cpb.46.362
Molecular Weight 448.383 g/mol
Solvent CD3OD
Source File Reference UWMS6244