3-Ethyl-4-hydroxy-4-methylpentyl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside
8180
Reference
3-Ethyl-4-hydroxy-4-methylpentyl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside Structure
Systematic / IUPAC Name: (2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3-ethyl-4-hydroxy-4-methylpentoxy)oxane-3,4,5-triol
ID: Reference8180
Other Names: β-D-Glucopyranoside, 3-ethyl-4-hydroxy-4-methylpentyl 6-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-
Formula: C19H36O11
Spectral Data
3-Ethyl-4-hydroxy-4-methylpentyl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside 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 | 155 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/24/2018 12:26:01 PM |
Identificators
| InChI | InChI=1S/C19H36O11/c1-4-10(18(2,3)25)5-6-27-16-14(23)13(22)12(21)11(30-16)7-28-17-15(24)19(26,8-20)9-29-17/h10-17,20-26H,4-9H2,1-3H3/t10?,11-,12-,13+,14-,15+,16-,17+,19-/m1/s1 |
| InChI Key | ZHOUHFMRWBOCFO-RPIGWSNLSA-N |
| Canonical SMILES | CCC(CCOC1C(C(C(C(O1)COC2C(C(CO2)(CO)O)O)O)O)O)C(C)(C)O |
| CAS | |
| Splash | |
| Other Names | β-D-Glucopyranoside, 3-ethyl-4-hydroxy-4-methylpentyl 6-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]- |