SIMPLEXIN_F;13-O-DEBUTYRYL_SIMPLEXIN_C
Compound with spectra: 1 NMR
| SpectraBase Compound ID | IlT5i0Z1LoI |
|---|---|
| InChI | InChI=1S/C28H46O10/c1-9-10-19(31)38-27(7)12-11-18(35-15(4)29)26(6,33)13-17-22-21(24(27)37-17)20(14(2)3)23(32)25(28(22,8)34)36-16(5)30/h14,17-18,20-25,32-34H,9-13H2,1-8H3/t17-,18+,20-,21-,22-,23+,24-,25-,26+,27-,28+/m1/s1 |
| InChIKey | HGBCXVIKKZBSJK-UCZJHUNTSA-N |
| Mol Weight | 542.7 g/mol |
| Molecular Formula | C28H46O10 |
| Exact Mass | 542.309098 g/mol |
| Enantiomer InChIKey | HGBCXVIKKZBSJK-YIZXLJFGSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Title | Journal or Book | Year |
|---|---|---|
| Simplexins A−I, Eunicellin-Based Diterpenoids from the Soft Coral Klyxum simplex | Journal of Natural Products | 2009 |
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.