CAFFEIC-ACID-COENZYME-A-THIOLESTER
Compound with spectra: 1 NMR
| SpectraBase Compound ID | C8iqcY6qRwV |
|---|---|
| InChI | InChI=1S/C30H42N7O19P3S/c1-30(2,25(43)28(44)33-8-7-20(40)32-9-10-60-21(41)6-4-16-3-5-17(38)18(39)11-16)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)37-15-36-22-26(31)34-14-35-27(22)37/h3-6,11,14-15,19,23-25,29,38-39,42-43H,7-10,12-13H2,1-2H3,(H,32,40)(H,33,44)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/b6-4+/t19-,23-,24-,25+,29-/m0/s1 |
| InChIKey | QHRGJMIMHCLHRG-BDDLVACBSA-N |
| Mol Weight | 929.7 g/mol |
| Molecular Formula | C30H42N7O19P3S |
| Exact Mass | 929.146904 g/mol |
| Enantiomer InChIKey | QHRGJMIMHCLHRG-ZSELIEHESA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | D2O |
FERULOYL_COA
[3,4-(13)C2]-2-BUTYNOYL-COA
[3-(13)-C1]-(METHYLENECYCLOPROPYL)-FORMYL-COA
PFQPQLHGZGJIFG-RWQKCNEHSA-N
3'-O-METHYL-A-NICOTINAMIDE-ADENINE-DINUCLEOTIDE
P(1)-(6-HYDROXYMETHYLPTERIN)-P(2)-(5'-ADENOSYL)-DIPHOSPHATE;HP2A
ADENOSINE-3',5'-CYCLOPHOSPHATE-2'-PHOSPHATE
ADENOSINE-5'-(4-DEOXY-ALPHA-L-GULO-HEPTOPYRANOSYL_DIPHOSPHATE)-BIS-(TRIETHYLAMINE)-SALT
ALPHA-NICOTINAMIDE ADENINE DINUCLEOTIDE (ALPHA-NAD)
ADENYLYL-(2'->5')-ADENOSINE, ADENYLYL-(2'->5')ADENOSINE
| Title | Journal or Book | Year |
|---|---|---|
| Chemo-enzymatic synthesis of rosmarinic acid | Recueil des Travaux Chimiques des Pays-Bas | 2010 |
This compound is available in the following databases:
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.