[ASPARTYL-(9-ACETOXY-3-AMINO-10-PHENYL-2,6,8-TRIMETHYLDECA-4,6-DIENOIC-ACID)-DEHYDROBUTYRINE-(2-AMINO-2-BUTENOIC-ACID)]-MICROCYSTIN-RR
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-RR](/api/compound/6FRFFZnm9m0.png?ph=true&h=300&w=458 "[ASPARTYL-(9-ACETOXY-3-AMINO-10-PHENYL-2,6,8-TRIMETHYLDECA-4,6-DIENOIC-ACID)-DEHYDROBUTYRINE-(2-AMINO-2-BUTENOIC-ACID)]-MICROCYSTIN-RR")
| SpectraBase Compound ID | 6FRFFZnm9m0 |
|---|---|
| InChI | InChI=1S/C49H73N13O13/c1-7-32-43(68)56-29(5)42(67)60-35(16-12-22-55-49(52)53)45(70)62-37(47(73)74)25-40(65)58-34(15-11-21-54-48(50)51)44(69)59-33(28(4)41(66)61-36(46(71)72)19-20-39(64)57-32)18-17-26(2)23-27(3)38(75-30(6)63)24-31-13-9-8-10-14-31/h7-10,13-14,17-18,23,27-29,33-38H,11-12,15-16,19-22,24-25H2,1-6H3,(H,56,68)(H,57,64)(H,58,65)(H,59,69)(H,60,67)(H,61,66)(H,62,70)(H,71,72)(H,73,74)(H4,50,51,54)(H4,52,53,55)/b18-17+,26-23+,32-7-/t27-,28+,29-,33+,34+,35+,36-,37+,38-/m1/s1 |
| InChIKey | XHKHVZRIQATICZ-BAHDGSQJSA-N |
| Mol Weight | 1052.2 g/mol |
| Molecular Formula | C49H73N13O13 |
| Exact Mass | 1051.545079 g/mol |
| Enantiomer InChIKey | XHKHVZRIQATICZ-UXKOFCFASA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
[ASPARTYL-(9-ACETOXY-3-AMINO-10-PHENYL-2,6,8-TRIMETHYLDECA-4,6-DIENOIC-ACID)-DEHYDROBUTYRINE-(2-AMINO-2-BUTENOIC-ACID)]-MICROCYSTIN-LR
[D-ASP3,(Z)-DHB7]-MICROCYSTIN-LR
(E)-DHB-MICROCYSTIN
[D-ASP-(3),(E)-DHB-(7)]-MICROCYSTIN-HTY-HTY
[D-ASP3]-MICROCYSTIN-RR
ISOMOTUPORIN_C
ISOMOTUPORIN
BOGOROL-A-HEXAACETATE
TIGLICAMIDE-C
TIGLICAMIDE-A
| Title | Journal or Book | Year |
|---|---|---|
| Three dehydrobutyrine-containing microcystins from Nostoc | Phytochemistry | 1998 |