PETROFORMYNIC_ACID_D
Compound with spectra: 1 NMR
| SpectraBase Compound ID | EZFSQAj09BA |
|---|---|
| InChI | InChI=1S/C47H70O4/c1-2-45(48)41-37-33-29-27-28-31-35-39-43-46(49)42-38-34-30-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-32-36-40-44-47(50)51/h1,7,9,19,21,30,34,37,41,45-46,48-49H,3-6,8,10-18,20,22-29,31-33,35-36H2,(H,50,51)/b9-7-,21-19-,34-30+,41-37+/t45-,46-/m1/s1 |
| InChIKey | BQLNMCQNOASKKE-SZBZILBQSA-N |
| Mol Weight | 699.1 g/mol |
| Molecular Formula | C47H70O4 |
| Exact Mass | 698.527411 g/mol |
| Enantiomer InChIKey | BQLNMCQNOASKKE-BGRDXREGSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
| Title | Journal or Book | Year |
|---|---|---|
| Cytotoxic C47-Polyacetylene Carboxylic Acids from a Marine Sponge Pertrosia sp. | Journal of Natural Products | 2007 |
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.