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CEPAFUNGIN-I-ACETYLATED
SpectraBase Compound ID 11IQQP04Piu
InChI InChI=1S/C32H50N4O8/c1-21(2)14-12-10-8-7-9-11-13-15-29(40)36-30(23(4)43-24(5)37)32(42)35-27-20-26(44-25(6)38)18-19-33-28(39)17-16-22(3)34-31(27)41/h9,11,13,15-17,21-23,26-27,30H,7-8,10,12,14,18-20H2,1-6H3,(H,33,39)(H,34,41)(H,35,42)(H,36,40)/b11-9+,15-13+,17-16+/t22-,23-,26+,27+,30+/m1/s1
InChIKey BGLFMFDYLZPOER-GGPGYZNZSA-N
Mol Weight 618.8 g/mol
Molecular Formula C32H50N4O8
Exact Mass 618.362865 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L4YP1SYmWPG
Name CEPAFUNGIN-I-ACETYLATED
Compound Number 1'
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H50N4O8
InChI InChI=1S/C32H50N4O8/c1-21(2)14-12-10-8-7-9-11-13-15-29(40)36-30(23(4)43-24(5)37)32(42)35-27-20-26(44-25(6)38)18-19-33-28(39)17-16-22(3)34-31(27)41/h9,11,13,15-17,21-23,26-27,30H,7-8,10,12,14,18-20H2,1-6H3,(H,33,39)(H,34,41)(H,35,42)(H,36,40)/b11-9+,15-13+,17-16+/t22-,23-,26+,27+,30+/m1/s1
InChIKey BGLFMFDYLZPOER-GGPGYZNZSA-N
Literature Reference Author Y.TERUI,J.NISHIKAWA,H.HINOO,T.KATO,J.I.SHOJI
Literature Reference Citation J.ANTIBIOTICS,43,788(1990)
Literature Reference DOI 10.7164/antibiotics.43.788
Molecular Weight 618.771 g/mol
Sample ID 40554
Solvent CDCl3:CD3OD=98:2