Dactylorhin E
8203
Reference
Dactylorhin E Structure
Systematic / IUPAC Name: (3R)-3-(β-D-Glucopyranosyloxy)-3-({[4-(β-D-glucopyranosyloxy)benzyl]oxy}carbonyl)-5-methylhexanoic acid
ID: Reference8203
Other Names: Butanedioic acid, 2-(β-D-glucopyranosyloxy)-2-(2-methylpropyl)-, 1-[[4-(β-D-glucopyranosyloxy)phenyl]methyl] ester, (2R)-
Formula: C27H40O16
Spectral Data
Dactylorhin E 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 | 154 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 9/13/2018 6:23:26 AM |
Identificators
| InChI | InChI=1S/C27H40O16/c1-12(2)7-27(8-17(30)31,43-25-23(37)21(35)19(33)16(10-29)42-25)26(38)39-11-13-3-5-14(6-4-13)40-24-22(36)20(34)18(32)15(9-28)41-24/h3-6,12,15-16,18-25,28-29,32-37H,7-11H2,1-2H3,(H,30,31)/t15-,16-,18-,19-,20+,21+,22-,23-,24-,25+,27-/m1/s1 |
| InChI Key | ZGNUJHGCJSHIQU-JOOANJHQSA-N |
| Canonical SMILES | CC(C)CC(CC(=O)O)(C(=O)OCC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)OC3C(C(C(C(O3)CO)O)O)O |
| CAS | |
| Splash | |
| Other Names | Butanedioic acid, 2-(β-D-glucopyranosyloxy)-2-(2-methylpropyl)-, 1-[[4-(β-D-glucopyranosyloxy)phenyl]methyl] ester, (2R)- |