6-O-[(2E)-2-Methyl-2-butenoyl]-β-D-glucopyranosyl-(1->2)-6-O-[(2E)-2-methyl-2-butenoyl]-α-D-glucopyranosyl 6-O-[(2E)-2-methyl-2-butenoyl]-β-D-glucopyranosyl-(1->2)-α-D-glucopyranoside
6-O-[(2E)-2-Methyl-2-butenoyl]-β-D-glucopyranosyl-(1->2)-6-O-[(2E)-2-methyl-2-butenoyl]-α-D-glucopyranosyl 6-O-[(2E)-2-methyl-2-butenoyl]-β-D-glucopyranosyl-(1->2)-α-D-glucopyranoside Structure
Systematic / IUPAC Name: [(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-2-methylbut-2-enoyl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-2-methylbut-2-enoate
ID: Reference8128
Other Names: α-D-Glucopyranoside, O-6-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-β-D-glucopyranosyl-(1->2)-6-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-α-D-glucopyranosyl O-6-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-β-D-glucopyranosyl-(1->2)-
Formula: C39H60O24
Spectral Data
6-O-[(2E)-2-Methyl-2-butenoyl]-β-D-glucopyranosyl-(1->2)-6-O-[(2E)-2-methyl-2-butenoyl]-α-D-glucopyranosyl 6-O-[(2E)-2-methyl-2-butenoyl]-β-D-glucopyranosyl-(1->2)-α-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 | 8/2/2018 11:25:28 AM |
Identificators
| InChI | InChI=1S/C39H60O24/c1-7-14(4)33(51)54-11-18-22(42)25(45)29(49)36(58-18)61-31-27(47)21(41)17(10-40)57-38(31)63-39-32(28(48)24(44)20(60-39)13-56-35(53)16(6)9-3)62-37-30(50)26(46)23(43)19(59-37)12-55-34(52)15(5)8-2/h7-9,17-32,36-50H,10-13H2,1-6H3/b14-7+,15-8+,16-9+/t17-,18-,19-,20-,21-,22-,23-,24-,25+,26+,27+,28+,29-,30-,31-,32-,36+,37+,38-,39-/m1/s1 |
| InChI Key | HMQQUBKMJRWCBL-WEFBUEKCSA-N |
| Canonical SMILES | CC=C(C)C(=O)OCC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(C(O3)COC(=O)C(=CC)C)O)O)OC4C(C(C(C(O4)COC(=O)C(=CC)C)O)O)O)CO)O)O)O)O)O |
| CAS | |
| Splash | |
| Other Names | α-D-Glucopyranoside, O-6-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-β-D-glucopyranosyl-(1->2)-6-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-α-D-glucopyranosyl O-6-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-β-D-glucopyranosyl-(1->2)- |