John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=BFtsHjhGX62 SpectraBase Spectrum ID=E8CGLzjAE8v

(accessed ).
DIHETEROPEPTIN;CYCLO-[2-AMINOISOBUTYRYL-(S)-PHENYLALANYL-(R)-PROLYL-(2S,8R,9R)-2-AMINO-8,9-DIHYDROXYDECANOYL-
SpectraBase Compound ID BFtsHjhGX62
InChI InChI=1S/C28H42N4O6/c1-18(33)23(34)15-9-5-8-13-20-24(35)31-28(2,3)27(38)30-21(17-19-11-6-4-7-12-19)26(37)32-16-10-14-22(32)25(36)29-20/h4,6-7,11-12,18,20-23,33-34H,5,8-10,13-17H2,1-3H3,(H,29,36)(H,30,38)(H,31,35)/t18-,20+,21+,22-,23-/m1/s1
InChIKey NAOMMKDKLCMCHA-YDXQKAQTSA-N
Mol Weight 530.7 g/mol
Molecular Formula C28H42N4O6
Exact Mass 530.310435 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E8CGLzjAE8v
Name DIHETEROPEPTIN;CYCLO-[2-AMINOISOBUTYRYL-(S)-PHENYLALANYL-(R)-PROLYL-(2S,8R,9R)-2-AMINO-8,9-DIHYDROXYDECANOYL-
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H42N4O6
InChI InChI=1S/C28H42N4O6/c1-18(33)23(34)15-9-5-8-13-20-24(35)31-28(2,3)27(38)30-21(17-19-11-6-4-7-12-19)26(37)32-16-10-14-22(32)25(36)29-20/h4,6-7,11-12,18,20-23,33-34H,5,8-10,13-17H2,1-3H3,(H,29,36)(H,30,38)(H,31,35)/t18-,20+,21+,22-,23-/m1/s1
InChIKey NAOMMKDKLCMCHA-YDXQKAQTSA-N
Literature Reference Author Y.MASUOKA,K.SHIN-YA,K.FURIHATA,H.MATSUMOTO,Y.TAKEBAYASHI,K.N AGAI,K.I.SUZUKI,Y.HA
Literature Reference Citation J.ANTIBIOTICS,53,793(2000)
Literature Reference DOI 10.7164/antibiotics.53.793
Molecular Weight 530.665 g/mol
Solvent CDCl3
Source File Reference UWRU8203
SpectraBase Batch ID 1AiYPx5VSOI