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[ASPARTYL-(9-ACETOXY-3-AMINO-10-PHENYL-2,6,8-TRIMETHYLDECA-4,6-DIENOIC-ACID)-DEHYDROBUTYRINE-(2-AMINO-2-BUTENOIC-ACID)]-MICROCYSTIN-HTYR

Compound with spectra: 1 NMR

[ASPARTYL-(9-ACETOXY-3-AMINO-10-PHENYL-2,6,8-TRIMETHYLDECA-4,6-DIENOIC-ACID)-DEHYDROBUTYRINE-(2-AMINO-2-BUTENOIC-ACID)]-MICROCYSTIN-HTYR
SpectraBase Compound ID 5iR1nrh3hT1
InChI InChI=1S/C53H72N10O14/c1-7-37-48(70)57-32(5)47(69)61-40(22-18-34-16-19-36(65)20-17-34)50(72)63-42(52(75)76)28-45(67)59-39(14-11-25-56-53(54)55)49(71)60-38(31(4)46(68)62-41(51(73)74)23-24-44(66)58-37)21-15-29(2)26-30(3)43(77-33(6)64)27-35-12-9-8-10-13-35/h7-10,12-13,15-17,19-21,26,30-32,38-43,65H,11,14,18,22-25,27-28H2,1-6H3,(H,57,70)(H,58,66)(H,59,67)(H,60,71)(H,61,69)(H,62,68)(H,63,72)(H,73,74)(H,75,76)(H4,54,55,56)/b21-15+,29-26+,37-7-/t30-,31+,32-,38+,39+,40+,41-,42-,43-/m1/s1
InChIKey QOBIMFYINUFCSC-JOYKQJCGSA-N
Mol Weight 1073.2 g/mol
Molecular Formula C53H72N10O14
Exact Mass 1072.522947 g/mol
Enantiomer InChIKey QOBIMFYINUFCSC-HBZCYMKPSA-N

View Spectrum of [ASPARTYL-(9-ACETOXY-3-AMINO-10-PHENYL-2,6,8-TRIMETHYLDECA-4,6-DIENOIC-ACID)-DEHYDROBUTYRINE-(2-AMINO-2-BUTENOIC-ACID)]-MICROCYSTIN-HTYR

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD3OD
[D-ASP-(3),(E)-DHB-(7)]-MICROCYSTIN-HTY-Y
MICROCYSTIN-YR
[D-LEU(1)]-MICROCYSTIN-LR
ISOMOTUPORIN_B
Mesotocin
1-[19-amino-7-(2-amino-2-keto-ethyl)-10-(3-amino-3-keto-propyl)-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaketo-13-sec-butyl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[1-[(2-amino-2-keto-ethyl)carbamoyl]-3-methyl-butyl]pyrrolidine-2-carboxamid
PHAKELLISTATIN_16;CYCLO-(PRO-PHE-ASP-SER-ARG-ALA-VAL-THR-TYR);MAJOR_ISOMER
Eledoisin
KULOKEKAHILIDE-2;TRANS-ISOMER
INTEGERRIMIDE_B;TRANS-CONFORMER;CYCLO-(-TRP-(1)-ALA-(2)-LEU-(3)-LEU-(4)-VAL-(5)-SER-(6)-PRO-(7)-)
Title Journal or Book Year
Three dehydrobutyrine-containing microcystins from Nostoc Phytochemistry 1998
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