SIMPLEXIN_C
Compound with spectra: 1 NMR
| SpectraBase Compound ID | EevDvAet2zv |
|---|---|
| InChI | InChI=1S/C32H52O11/c1-10-12-22(35)42-27-24(17(3)4)25-26(32(9,38)29(27)40-19(6)34)20-16-30(7,37)21(39-18(5)33)14-15-31(8,28(25)41-20)43-23(36)13-11-2/h17,20-21,24-29,37-38H,10-16H2,1-9H3/t20-,21+,24-,25-,26-,27+,28-,29-,30+,31-,32+/m1/s1 |
| InChIKey | HCQIFRTWVUQXOW-YCZQKTHSSA-N |
| Mol Weight | 612.8 g/mol |
| Molecular Formula | C32H52O11 |
| Exact Mass | 612.350962 g/mol |
| Enantiomer InChIKey | HCQIFRTWVUQXOW-WZJCXWSMSA-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.