[(3R,3aS,9aS,9bS)-3,6-Dimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-9-yl]methyl β-D-glucopyranoside
8041
Reference
[(3R,3aS,9aS,9bS)-3,6-Dimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-9-yl]methyl β-D-glucopyranoside Structure
Systematic / IUPAC Name: [(3R,3aS,9aS,9bS)-3,6-Dimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-9-yl]methyl β-D-glucopyranoside
ID: Reference8041
Other Names: Azuleno[4,5-b]furan-2,7-dione, 9-[(β-D-glucopyranosyloxy)methyl]-3,3a,4,5,9a,9b-hexahydro-3,6-dimethyl-, (3R,3aS,9aS,9bS)-
Formula: C21H28O9
Spectral Data
[(3R,3aS,9aS,9bS)-3,6-Dimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-9-yl]methyl 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 | 315 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/7/2018 7:06:55 AM |
Identificators
| InChI | InChI=1S/C21H28O9/c1-8-3-4-11-9(2)20(27)30-19(11)15-10(5-12(23)14(8)15)7-28-21-18(26)17(25)16(24)13(6-22)29-21/h5,9,11,13,15-19,21-22,24-26H,3-4,6-7H2,1-2H3/t9-,11+,13-,15+,16-,17+,18-,19+,21-/m1/s1 |
| InChI Key | BUHZTPLXMFRPCK-MBYZHAKNSA-N |
| Canonical SMILES | CC1C2CCC(=C3C(C2OC1=O)C(=CC3=O)COC4C(C(C(C(O4)CO)O)O)O)C |
| CAS | |
| Splash | |
| Other Names | Azuleno[4,5-b]furan-2,7-dione, 9-[(β-D-glucopyranosyloxy)methyl]-3,3a,4,5,9a,9b-hexahydro-3,6-dimethyl-, (3R,3aS,9aS,9bS)- |