Rotundioside-A-sulfate-2
Compound with spectra: 1 NMR
| SpectraBase Compound ID | 98IvpAQJ30J |
|---|---|
| InChI | InChI=1S/C42H68O17S/c1-37(2)14-15-42(36(51)58-35-33(50)31(48)29(46)23(57-35)19-55-34-32(49)30(47)28(45)22(18-43)56-34)21(16-37)20-8-9-25-39(5)12-11-27(59-60(52,53)54)38(3,4)24(39)10-13-40(25,6)41(20,7)17-26(42)44/h8,21-35,43-50H,9-19H2,1-7H3,(H,52,53,54)/p-1/t21?,22-,23-,24?,25?,26-,27+,28-,29-,30+,31+,32-,33-,34-,35+,39+,40-,41-,42-/m1/s1 |
| InChIKey | RFJMGYBJPIFCLM-BCBISWLASA-M |
| Mol Weight | 876.0 g/mol |
| Molecular Formula | C42H67O17S |
| Exact Mass | 875.409897 g/mol |
| Enantiomer InChIKey | RFJMGYBJPIFCLM-GXSVYXLOSA-M |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | PYRIDINE-D5 |
| Title | Journal or Book | Year |
|---|---|---|
| Sulfated triterpenoid saponins from the leaves of Bupleurum rotundifolium L. | Chemical and Pharmaceutical Bulletin | 1985 |
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.