[(3R,3aR,4S,9aS,9bR)-4-Hydroxy-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
8039
Reference
[(3R,3aR,4S,9aS,9bR)-4-Hydroxy-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,3aR,4S,9aS,9bR)-4-Hydroxy-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: Reference8039
Other Names: Azuleno[4,5-b]furan-2,7-dione, 9-[(β-D-glucopyranosyloxy)methyl]-3,3a,4,5,9a,9b-hexahydro-4-hydroxy-3,6-dimethyl-, (3R,3aR,4S,9aS,9bR)-
Formula: C21H28O10
Spectral Data
[(3R,3aR,4S,9aS,9bR)-4-Hydroxy-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 | 368 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/6/2018 12:30:38 PM |
Identificators
| InChI | InChI=1S/C21H28O10/c1-7-3-10(23)14-8(2)20(28)31-19(14)15-9(4-11(24)13(7)15)6-29-21-18(27)17(26)16(25)12(5-22)30-21/h4,8,10,12,14-19,21-23,25-27H,3,5-6H2,1-2H3/t8-,10+,12-,14-,15+,16-,17+,18-,19+,21-/m1/s1 |
| InChI Key | ZEMSXERQBUSFBA-KMYOWJDCSA-N |
| Canonical SMILES | CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)COC4C(C(C(C(O4)CO)O)O)O)C)O |
| CAS | |
| Splash | |
| Other Names | Azuleno[4,5-b]furan-2,7-dione, 9-[(β-D-glucopyranosyloxy)methyl]-3,3a,4,5,9a,9b-hexahydro-4-hydroxy-3,6-dimethyl-, (3R,3aR,4S,9aS,9bR)- |