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CHETRACIN_C
SpectraBase Compound ID 710EP8pKz9I
InChI InChI=1S/C30H28N6O8S6/c1-33-23(43)29-17(39)27(13-7-3-5-9-15(13)31-19(27)35(29)21(41)25(33,11-37)45-49-47-29)28-14-8-4-6-10-16(14)32-20(28)36-22(42)26(12-38)34(2)24(44)30(36,18(28)40)48-50-46-26/h3-10,17-20,31-32,37-40H,11-12H2,1-2H3/t17-,18-,19+,20+,25+,26+,27+,28?,29+,30+/m0/s1
InChIKey CZHZTVHMGFRKRJ-YWGJFYHJSA-N
Mol Weight 792.9 g/mol
Molecular Formula C30H28N6O8S6
Exact Mass 792.029289 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4PDnWWHzEyM
Name CHETRACIN_C
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H28N6O8S6
InChI InChI=1S/C30H28N6O8S6/c1-33-23(43)29-17(39)27(13-7-3-5-9-15(13)31-19(27)35(29)21(41)25(33,11-37)45-49-47-29)28-14-8-4-6-10-16(14)32-20(28)36-22(42)26(12-38)34(2)24(44)30(36,18(28)40)48-50-46-26/h3-10,17-20,31-32,37-40H,11-12H2,1-2H3/t17-,18-,19+,20+,25+,26+,27+,28?,29+,30+/m0/s1
InChIKey CZHZTVHMGFRKRJ-YWGJFYHJSA-N
Literature Reference Author L.LI,D.LI,Y.LUAN,Q.GU,T.ZHU
Literature Reference Citation J.NAT.PROD.,75,920(2012)
Literature Reference DOI 10.1021/np3000443
Molecular Weight 792.948 g/mol
Sample ID 40414
Solvent DMSO-D6