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ANANOLIGNAN_I
SpectraBase Compound ID KKf2nmUPp4
InChI InChI=1S/C29H36O10/c1-9-10-21(31)39-25-15(3)14(2)24(38-16(4)30)17-11-19(32-5)26(33-6)28(34-7)22(17)23-18(25)12-20-27(29(23)35-8)37-13-36-20/h11-12,14-15,24-25H,9-10,13H2,1-8H3/t14-,15+,24+,25+/m0/s1
InChIKey XGDOIOYKMDUTAI-OERBGBPFSA-N
Mol Weight 544.6 g/mol
Molecular Formula C29H36O10
Exact Mass 544.230847 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fp5FfnRlS4D
Name ANANOLIGNAN_I
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36O10
InChI InChI=1S/C29H36O10/c1-9-10-21(31)39-25-15(3)14(2)24(38-16(4)30)17-11-19(32-5)26(33-6)28(34-7)22(17)23-18(25)12-20-27(29(23)35-8)37-13-36-20/h11-12,14-15,24-25H,9-10,13H2,1-8H3/t14-,15+,24+,25+/m0/s1
InChIKey XGDOIOYKMDUTAI-OERBGBPFSA-N
Literature Reference Author J.H.YANG,H.Y.ZHANG,J.WEN,X.DU,J.H.CHEN,H.B.ZHANG,W.L.XIAO,J. X.PU,X.C.TANG,H.D.SU
Literature Reference Citation J.NAT.PROD.,74,1028(2011)
Literature Reference DOI 10.1021/np1009288
Molecular Weight 544.599 g/mol
Sample ID 38119
Solvent CDCl3