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MICROCIONAMIDE-A
SpectraBase Compound ID 5ytpY5XRd1f
InChI InChI=1S/C43H70N8O7S2/c1-11-25(7)33-40(55)47-30(37(52)45-21-20-29-18-16-15-17-19-29)22-59-60-23-31(46-39(54)32(44)24(5)6)38(53)48-34(26(8)12-2)41(56)50-36(28(10)14-4)43(58)51-35(27(9)13-3)42(57)49-33/h15-21,24-28,30-36H,11-14,22-23,44H2,1-10H3,(H,45,52)(H,46,54)(H,47,55)(H,48,53)(H,49,57)(H,50,56)(H,51,58)/b21-20+/t25?,26?,27?,28?,30-,31-,32+,33+,34-,35-,36+/m0/s1
InChIKey KAIYBVUCMOTXEJ-PWOFDTITSA-N
Mol Weight 875.2 g/mol
Molecular Formula C43H70N8O7S2
Exact Mass 874.480889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bfvo3Lw3A5b
Name MICROCIONAMIDE-A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H70N8O7S2
InChI InChI=1S/C43H70N8O7S2/c1-11-25(7)33-40(55)47-30(37(52)45-21-20-29-18-16-15-17-19-29)22-59-60-23-31(46-39(54)32(44)24(5)6)38(53)48-34(26(8)12-2)41(56)50-36(28(10)14-4)43(58)51-35(27(9)13-3)42(57)49-33/h15-21,24-28,30-36H,11-14,22-23,44H2,1-10H3,(H,45,52)(H,46,54)(H,47,55)(H,48,53)(H,49,57)(H,50,56)(H,51,58)/b21-20+/t25?,26?,27?,28?,30-,31-,32+,33+,34-,35-,36+/m0/s1
InChIKey KAIYBVUCMOTXEJ-PWOFDTITSA-N
Literature Reference Author R.A.DAVIS,G.C.MANGALINDAN,Z.P.BOJO,R.R.ANTEMANO,N.O.RODRIGUE Z,G.P.CONCEPCION,S.C
Literature Reference Citation J.ORG.CHEM.,69,4170(2004)
Literature Reference DOI 10.1021/jo040129h
Molecular Weight 875.198 g/mol
Solvent CD3OD
Source File Reference UWVN21673