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HECTOCHLORIN

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HECTOCHLORIN
SpectraBase Compound ID E5KChztBAn5
InChI InChI=1S/C27H34Cl2N2O9S2/c1-13-17(9-8-10-27(7,28)29)38-23(34)15-11-42-21(30-15)19(37-14(2)32)26(5,6)40-24(35)16-12-41-20(31-16)18(25(3,4)36)39-22(13)33/h11-13,17-19,36H,8-10H2,1-7H3/t13-,17-,18+,19+/m0/s1
InChIKey USXIYWCPCGVOKF-NOENWEJRSA-N
Mol Weight 665.6 g/mol
Molecular Formula C27H34Cl2N2O9S2
Exact Mass 664.108278 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FEL5AQyd81C
Name HECTOCHLORIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H34Cl2N2O9S2
InChI InChI=1S/C27H34Cl2N2O9S2/c1-13-17(9-8-10-27(7,28)29)38-23(34)15-11-42-21(30-15)19(37-14(2)32)26(5,6)40-24(35)16-12-41-20(31-16)18(25(3,4)36)39-22(13)33/h11-13,17-19,36H,8-10H2,1-7H3/t13-,17-,18+,19+/m0/s1
InChIKey USXIYWCPCGVOKF-NOENWEJRSA-N
Literature Reference Author B.L.MARQUEZ,K.S.WATTS,A.YOKOCHI,M.A.ROBERTS,P.VERDIER-PINARD ,J.I.JIMENEZ,E.HAMEL
Literature Reference Citation J.NAT.PROD.,65,866(2002)
Literature Reference DOI 10.1021/np0106283
Molecular Weight 665.601 g/mol
Solvent CDCl3
Source File Reference UWSI6048