PKKPWWDZCMACJH-AOJJOOHFSA-N
Compound with spectra: 1 NMR
| SpectraBase Compound ID | EmLE6eD5nP5 |
|---|---|
| InChI | InChI=1S/C42H63N9O15/c1-40(2)22(13-52)34(58)31(37(61)28(16-55)64-40)49-10-25(43-46-49)19-7-20(26-11-50(47-44-26)32-35(59)23(14-53)41(3,4)65-29(17-56)38(32)62)9-21(8-19)27-12-51(48-45-27)33-36(60)24(15-54)42(5,6)66-30(18-57)39(33)63/h7-12,22-24,28-39,52-63H,13-18H2,1-6H3/t22-,23-,24-,28-,29-,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+/m0/s1 |
| InChIKey | PKKPWWDZCMACJH-AOJJOOHFSA-N |
| Mol Weight | 934.0 g/mol |
| Molecular Formula | C42H63N9O15 |
| Exact Mass | 933.444362 g/mol |
| Enantiomer InChIKey | PKKPWWDZCMACJH-SMGZUFRVSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | C5D5N:CD3OD=2:1 |
LWCJOKYYBDEIQG-IEBXURGZSA-N
(2S,3S,4R,5S,6S)-METHYL-3''-[1'-[3,5-DIHYDROXY-2,6-BIS-(HYDROXYMETHYL)-7,7-DIMETHYL-OXEPAN-4-YL]-1H-1',2',3'-(TRIAZOL-4'-YL)]-3''-METHYLBUTANOATE
UTNYALQLQFDRKE-FZGYHVDVSA-N
4,5-Dicarbethoxy-1-(.alpha.,.beta.-D-glucofuranos-3'-yl)-1,2,3-triazole
2-(CYCLOHEXYLAMINO)-6,6-DIMETHYL-3-(4-NITROPHENYL)-6,7-DIHYDRO-1-BENZOFURAN-4-(5-H)-ONE
N-(2-benzhydryl-4-keto-quinazolin-3-yl)-N-isobutyryl-2-methyl-propionamide
p-Menth-3-yl 1,1'-binaphthyl-2-carboxylate
DTAJUZWQEHGICF-MSWPAXRKSA-N
Bakkenolide-S
Azuleno[4,5-b]furan-2(3H)-one, 8-(acetyloxy)-3a,4,5,7,8,9,9a,9b-octahydro-3,6-dimethyl-9-methylene-, [3S-(3.alpha.,3a.alpha.,8.beta.,9a.alpha.,9b.beta.)]-
| Title | Journal or Book | Year |
|---|---|---|
| Synthesis of Di- and Trivalent Carbohydrate Mimetics with Oxepane Substructure by Employing Copper-Catalyzed [3+2] Cycloadditions of Alkynes with Azidooxepanes | European Journal of Organic Chemistry | 2014 |
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.