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CHIMARRHININ
SpectraBase Compound ID HE7bPVmFmKk
InChI InChI=1S/C29H28O12/c30-18-9-16(10-19(31)12-18)27(37)40-25-24(36)13-39-26(25)29(17-2-4-21(33)23(35)11-17)6-5-15(28(38)41-29)7-14-1-3-20(32)22(34)8-14/h1-4,8-12,15,24-26,30-36H,5-7,13H2/t15-,24+,25-,26?,29-/m1/s1
InChIKey HBIPDNZXAWNFRY-NBMRCQAASA-N
Mol Weight 568.53 g/mol
Molecular Formula C29H28O12
Exact Mass 568.158076 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K1p6fMbWBTM
Name CHIMARRHININ
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H28O12
InChI InChI=1S/C29H28O12/c30-18-9-16(10-19(31)12-18)27(37)40-25-24(36)13-39-26(25)29(17-2-4-21(33)23(35)11-17)6-5-15(28(38)41-29)7-14-1-3-20(32)22(34)8-14/h1-4,8-12,15,24-26,30-36H,5-7,13H2/t15-,24+,25-,26?,29-/m1/s1
InChIKey HBIPDNZXAWNFRY-NBMRCQAASA-N
Literature Reference Author C.L.CARDOSO,I.CASTRO-GAMBOA,G.M.BERGAMINI,A.J.CAVALHEIRO,D.H .S.SILVA,M.N.LOPES,A
Literature Reference Citation J.NAT.PROD.,74,487(2011)
Literature Reference DOI 10.1021/np1007476
Molecular Weight 568.534 g/mol
Sample ID 37358
Solvent CD3OD