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TOONACILIATIN_H
SpectraBase Compound ID Kq7nTAmdyRo
InChI InChI=1S/C27H32O11/c1-12(28)35-19-20(30)38-21(2)7-8-25(32)23(4,26(19,21)33)17-16(37-25)18(29)22(3)14(13-6-9-34-11-13)10-15-27(22,36-15)24(17,5)31/h6-9,11,14-19,29,31-33H,10H2,1-5H3/t14-,15+,16-,17+,18-,19-,21-,22+,23-,24+,25-,26+,27+/m0/s1
InChIKey AQQVQSFDLYVCMJ-KJDUMSPISA-N
Mol Weight 532.5 g/mol
Molecular Formula C27H32O11
Exact Mass 532.194462 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L2A34xKl766
Name TOONACILIATIN_H
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H32O11
InChI InChI=1S/C27H32O11/c1-12(28)35-19-20(30)38-21(2)7-8-25(32)23(4,26(19,21)33)17-16(37-25)18(29)22(3)14(13-6-9-34-11-13)10-15-27(22,36-15)24(17,5)31/h6-9,11,14-19,29,31-33H,10H2,1-5H3/t14-,15+,16-,17+,18-,19-,21-,22+,23-,24+,25-,26+,27+/m0/s1
InChIKey AQQVQSFDLYVCMJ-KJDUMSPISA-N
Literature Reference Author H.D.CHEN,S.P.YANG,Y.WU,L.DONG,J.M.YUE
Literature Reference Citation J.NAT.PROD.,72,685(2009)
Literature Reference DOI 10.1021/np800811b
Molecular Weight 532.544 g/mol
Sample ID 32435
Solvent C5D5N