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A21459B
SpectraBase Compound ID G6aOUVJHIDn
InChI InChI=1S/C40H44N10O8S/c1-20-35(53)46-22(3)40(57)50(4)18-34(52)45-21(2)39-49-32(19-59-39)38(56)48-31(12-23-15-41-28-9-7-6-8-26(23)28)37(55)47-30(36(54)43-17-33(51)44-20)13-24-16-42-29-11-10-25(58-5)14-27(24)29/h6-11,14-16,19-21,30-31,41-42H,3,12-13,17-18H2,1-2,4-5H3,(H,43,54)(H,44,51)(H,45,52)(H,46,53)(H,47,55)(H,48,56)
InChIKey LMCHTEAQLRMIOY-UHFFFAOYSA-N
Mol Weight 824.9 g/mol
Molecular Formula C40H44N10O8S
Exact Mass 824.30643 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JOmZkvH8Gfq
Name A21459B
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H44N10O8S
InChI InChI=1S/C40H44N10O8S/c1-20-35(53)46-22(3)40(57)50(4)18-34(52)45-21(2)39-49-32(19-59-39)38(56)48-31(12-23-15-41-28-9-7-6-8-26(23)28)37(55)47-30(36(54)43-17-33(51)44-20)13-24-16-42-29-11-10-25(58-5)14-27(24)29/h6-11,14-16,19-21,30-31,41-42H,3,12-13,17-18H2,1-2,4-5H3,(H,43,54)(H,44,51)(H,45,52)(H,46,53)(H,47,55)(H,48,56)
InChIKey LMCHTEAQLRMIOY-UHFFFAOYSA-N
Literature Reference Author P.FERRARI,K.VEKEY,M.GALIMBERTI,G.G.GALLO,E.SELVA,L.F.ZERILLI
Literature Reference Citation J.ANTIBIOTICS,49,150(1996)
Literature Reference DOI 10.7164/antibiotics.49.150
Molecular Weight 824.912 g/mol
Solvent CDCl3
Source File Reference UWCS23257