Thalictricoside
8103
Reference
Thalictricoside Structure
Systematic / IUPAC Name: (2S,3R,4S,5S,6R)-2-[4-(2-Nitroethyl)phenoxy]-6-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl}oxane-3,4,5-triol
ID: Reference8103
Other Names:
β-D-Glucopyranoside, 4-(2-nitroethyl)phenyl 6-O-β-D-xylopyranosyl-;
4-(2-Nitroethyl)phenyl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside
Formula: C19H27NO12
Spectral Data
Thalictricoside mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
| No. of Spectral Trees | 1 |
| No. of Spectra | 162 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/20/2018 10:48:41 AM |
Identificators
| InChI | InChI=1S/C19H27NO12/c21-11-7-29-18(16(25)13(11)22)30-8-12-14(23)15(24)17(26)19(32-12)31-10-3-1-9(2-4-10)5-6-20(27)28/h1-4,11-19,21-26H,5-8H2/t11-,12-,13+,14-,15+,16-,17-,18+,19-/m1/s1 |
| InChI Key | ZHVLPKFAODFQST-BMVMOQKNSA-N |
| Canonical SMILES | C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC=C(C=C3)CC[N+](=O)[O-])O)O)O)O)O)O |
| CAS | |
| Splash | |
| Other Names |
β-D-Glucopyranoside, 4-(2-nitroethyl)phenyl 6-O-β-D-xylopyranosyl-; 4-(2-Nitroethyl)phenyl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside |