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THIAPLIDIAQUINONE_A

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THIAPLIDIAQUINONE_A
SpectraBase Compound ID 2eKBOjYvUyx
InChI InChI=1S/C34H41NO6S/c1-20(2)9-7-11-22(5)13-14-24-18-25(36)19-26-28-29(27(41-33(24)26)17-23(6)12-8-10-21(3)4)32(38)34-30(31(28)37)35-15-16-42(34,39)40/h9-10,13,17-19,27,35-36H,7-8,11-12,14-16H2,1-6H3/b22-13+,23-17+
InChIKey QDJNMAHTJHYJNV-FQLUOEGPSA-N
Mol Weight 591.8 g/mol
Molecular Formula C34H41NO6S
Exact Mass 591.265459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KSL5zh56Utt
Name THIAPLIDIAQUINONE_A
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H41NO6S
InChI InChI=1S/C34H41NO6S/c1-20(2)9-7-11-22(5)13-14-24-18-25(36)19-26-28-29(27(41-33(24)26)17-23(6)12-8-10-21(3)4)32(38)34-30(31(28)37)35-15-16-42(34,39)40/h9-10,13,17-19,27,35-36H,7-8,11-12,14-16H2,1-6H3/b22-13+,23-17+
InChIKey QDJNMAHTJHYJNV-FQLUOEGPSA-N
Literature Reference Author I.M.KHALIL,D.BARKER,B.R.COPP
Literature Reference Citation J.NAT.PROD.,75,2256(2012)
Literature Reference DOI 10.1021/np300790g
Molecular Weight 591.763 g/mol
Sample ID 42121
Solvent CDCl3