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ANTASCOMICIN-A
SpectraBase Compound ID 8zFHWe6OYql
InChI InChI=1S/C37H57NO9/c1-23-11-7-5-6-8-13-29(39)26(4)33-19-15-25(3)37(45,47-33)34(42)35(43)38-20-10-9-12-28(38)36(44)46-32(18-14-23)24(2)21-27-16-17-30(40)31(41)22-27/h7-8,11,13,23-28,30-33,40-41,45H,5-6,9-10,12,14-22H2,1-4H3/b11-7+,13-8+/t23-,24-,25+,26-,27+,28-,30-,31-,32-,33-,37+/m0/s1
InChIKey TZXXJSXEDDLWPB-MJROYINHSA-N
Mol Weight 659.9 g/mol
Molecular Formula C37H57NO9
Exact Mass 659.403332 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DyJUSmKnuvR
Name ANTASCOMICIN-A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H57NO9
InChI InChI=1S/C37H57NO9/c1-23-11-7-5-6-8-13-29(39)26(4)33-19-15-25(3)37(45,47-33)34(42)35(43)38-20-10-9-12-28(38)36(44)46-32(18-14-23)24(2)21-27-16-17-30(40)31(41)22-27/h7-8,11,13,23-28,30-33,40-41,45H,5-6,9-10,12,14-22H2,1-4H3/b11-7+,13-8+/t23-,24-,25+,26-,27+,28-,30-,31-,32-,33-,37+/m0/s1
InChIKey TZXXJSXEDDLWPB-MJROYINHSA-N
Literature Reference Author T.FEHR,J.J.SANGLIER,W.SCHULER,L.GSCHWIND,M.PONELLE,W.SCHILLI NG,C.WIOLAND
Literature Reference Citation J.ANTIBIOTICS,49,230(1996)
Literature Reference DOI 10.7164/antibiotics.49.230
Molecular Weight 659.861 g/mol
Solvent DMSO
Source File Reference UWCS23580