PROTOAESCIGENIN;3-BETA,16-ALPHA,21-BETA,22-ALPHA,24,28-HEXAHYDROXY-OLEAN-12-ENE
Compound with spectra: 3 NMR
| SpectraBase Compound ID | DODqpm08UqU |
|---|---|
| InChI | InChI=1S/C30H50O6/c1-25(2)13-18-17-7-8-20-26(3)11-10-21(33)27(4,15-31)19(26)9-12-28(20,5)29(17,6)14-22(34)30(18,16-32)24(36)23(25)35/h7,18-24,31-36H,8-16H2,1-6H3/t18-,19+,20+,21-,22+,23-,24-,26-,27+,28+,29+,30-/m0/s1 |
| InChIKey | VKJLHZZPVLQJKG-JAGYOTNFSA-N |
| Mol Weight | 506.7 g/mol |
| Molecular Formula | C30H50O6 |
| Exact Mass | 506.360739 g/mol |
| Enantiomer InChIKey | VKJLHZZPVLQJKG-YKTFDIPFSA-N |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | PYRIDINE-D5 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | C5D5N |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
- Protoescigenin
- Protoaescigenin
| Title | Journal or Book | Year |
|---|---|---|
| Preparation, Purification and Regioselective Functionalization of Protoescigenin—The Main Aglycone of Escin Complex | Molecules | 2013 |
| 13C NMR Spectra of pentacyclic triterpenoids—a compilation and some salient features | Phytochemistry | 1994 |
| Application of 2D Nmr Spectroscopy to the Structural Establishment of the Major Hydrolysis Product of Aescin | Journal of Natural Products | 1991 |
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.