1-O-{[(3aS,6Z,10E,11aR)-10-Methyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-yl]carbonyl}-β-D-glucopyranose
8189
Reference
1-O-{[(3aS,6Z,10E,11aR)-10-Methyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-yl]carbonyl}-β-D-glucopyranose Structure
Systematic / IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] (3aS,6Z,10E,11aR)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate
ID: Reference8189
Other Names: β-D-Glucopyranose, 1-O-[[(3aS,6Z,10E,11aR)-2,3,3a,4,5,8,9,11a-octahydro-10-methyl-3-methylene-2-oxocyclodeca[b]furan-6-yl]carbonyl]-
Formula: C21H28O9
Spectral Data
1-O-{[(3aS,6Z,10E,11aR)-10-Methyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-yl]carbonyl}-β-D-glucopyranose 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 | 4 |
| No. of Spectra | 3700 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 9/3/2018 8:13:24 AM |
Identificators
| InChI | InChI=1S/C21H28O9/c1-10-4-3-5-12(6-7-13-11(2)19(26)28-14(13)8-10)20(27)30-21-18(25)17(24)16(23)15(9-22)29-21/h5,8,13-18,21-25H,2-4,6-7,9H2,1H3/b10-8+,12-5-/t13-,14+,15+,16+,17-,18+,21-/m0/s1 |
| InChI Key | SIOXYUXOHTZOOM-FOCBMKBOSA-N |
| Canonical SMILES | CC1=CC2C(CCC(=CCC1)C(=O)OC3C(C(C(C(O3)CO)O)O)O)C(=C)C(=O)O2 |
| CAS | |
| Splash | |
| Other Names | β-D-Glucopyranose, 1-O-[[(3aS,6Z,10E,11aR)-2,3,3a,4,5,8,9,11a-octahydro-10-methyl-3-methylene-2-oxocyclodeca[b]furan-6-yl]carbonyl]- |