KQGDHYQRJRGMDG-AVRIFGHSSA-N
Compound with spectra: 1 NMR
| SpectraBase Compound ID | FmWauUrre1N |
|---|---|
| InChI | InChI=1S/C42H68O12/c1-21-28(45)33(54-34-31(48)30(47)29(46)22(19-43)52-34)32(49)35(51-21)53-27-11-12-38(6)23(37(27,4)5)9-13-39(7)24(38)10-14-42-25-17-36(2,3)15-16-41(25,20-50-42)26(44)18-40(39,42)8/h10,14,21-35,43-49H,9,11-13,15-20H2,1-8H3/t21-,22-,23?,24?,25?,26-,27+,28+,29-,30+,31-,32-,33+,34+,35?,38+,39-,40+,41-,42+/m1/s1 |
| InChIKey | KQGDHYQRJRGMDG-AVRIFGHSSA-N |
| Mol Weight | 765.0 g/mol |
| Molecular Formula | C42H68O12 |
| Exact Mass | 764.471078 g/mol |
| Enantiomer InChIKey | KQGDHYQRJRGMDG-GCCWWSRBSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | PYRIDINE-D5 |
| Title | Journal or Book | Year |
|---|---|---|
| Chemical evaluation of Bupleurum species collected in Yunnan, China. | Chemical and Pharmaceutical Bulletin | 1986 |
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.