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JUNCIN-P
SpectraBase Compound ID 15aFlrUWAEV
InChI InChI=1S/C28H35ClO13/c1-11-20(29)22-28(12(2)24(34)41-22)23(40-16(6)33)21-25(7,19(39-15(5)32)9-27(11,35)42-28)17(37-13(3)30)8-18(38-14(4)31)26(21)10-36-26/h12,17-23,35H,1,8-10H2,2-7H3/t12-,17-,18+,19-,20-,21+,22-,23-,25+,26+,27-,28-/m0/s1
InChIKey PCTFQDOJTVVEJX-KFJQSVJXSA-N
Mol Weight 615.0 g/mol
Molecular Formula C28H35ClO13
Exact Mass 614.176619 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6kJWbDmbLyg
Name JUNCIN-P
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H35ClO13
InChI InChI=1S/C28H35ClO13/c1-11-20(29)22-28(12(2)24(34)41-22)23(40-16(6)33)21-25(7,19(39-15(5)32)9-27(11,35)42-28)17(37-13(3)30)8-18(38-14(4)31)26(21)10-36-26/h12,17-23,35H,1,8-10H2,2-7H3/t12-,17-,18+,19-,20-,21+,22-,23-,25+,26+,27-,28-/m0/s1
InChIKey PCTFQDOJTVVEJX-KFJQSVJXSA-N
Literature Reference Author S.H.QUI,S.ZHANG,H.HUANG,Z.H.XIAO,J.S.HUANG,Q.X.LI
Literature Reference Citation J.NAT.PROD.,67,1907(2004)
Literature Reference DOI 10.1021/np049848h
Molecular Weight 615.031 g/mol
Solvent CDCl3
Source File Reference UWMZ6769