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MANUMYCIN-A
SpectraBase Compound ID 5qP120FlCPU
InChI InChI=1S/C31H38N2O7/c1-5-6-11-19(2)16-20(3)17-21(4)30(38)32-22-18-31(39,29-28(40-29)27(22)37)15-10-8-7-9-12-25(36)33-26-23(34)13-14-24(26)35/h7-10,12,15-19,28-29,34,39H,5-6,11,13-14H2,1-4H3,(H,32,38)(H,33,36)/b8-7+,12-9+,15-10+,20-16+,21-17+/t19-,28-,29-,31-/m1/s1
InChIKey TWWQHCKLTXDWBD-DGQORARFSA-N
Mol Weight 550.7 g/mol
Molecular Formula C31H38N2O7
Exact Mass 550.267902 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Y95KO4l5fq
Name MANUMYCIN-A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H38N2O7
InChI InChI=1S/C31H38N2O7/c1-5-6-11-19(2)16-20(3)17-21(4)30(38)32-22-18-31(39,29-28(40-29)27(22)37)15-10-8-7-9-12-25(36)33-26-23(34)13-14-24(26)35/h7-10,12,15-19,28-29,34,39H,5-6,11,13-14H2,1-4H3,(H,32,38)(H,33,36)/b8-7+,12-9+,15-10+,20-16+,21-17+/t19-,28-,29-,31-/m1/s1
InChIKey TWWQHCKLTXDWBD-DGQORARFSA-N
Literature Reference Author I.SATTLER,C.GROENE,A.ZEECK
Literature Reference Citation J.ORG.CHEM.,58,6583(1993)
Literature Reference DOI 10.1021/jo00076a015
Molecular Weight 550.652 g/mol
Solvent CDCl3
Source File Reference UWCS19547