1,3,6,8-Tetrahydroxy-2-[(1S)-1-methoxyhexyl]-9,10-anthraquinone
7641
Reference
1,3,6,8-Tetrahydroxy-2-[(1S)-1-methoxyhexyl]-9,10-anthraquinone Structure
Systematic / IUPAC Name: 1,3,6,8-Tetrahydroxy-2-[(1S)-1-methoxyhexyl]anthracene-9,10-dione
ID: Reference7641
Other Names: 9,10-Anthracenedione, 1,3,6,8-tetrahydroxy-2-[(1S)-1-methoxyhexyl]-
Formula: C21H22O7
Spectral Data
1,3,6,8-Tetrahydroxy-2-[(1S)-1-methoxyhexyl]-9,10-anthraquinone 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 | 162 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/27/2018 7:21:55 AM |
Identificators
| InChI | InChI=1S/C21H22O7/c1-3-4-5-6-15(28-2)18-14(24)9-12-17(21(18)27)20(26)16-11(19(12)25)7-10(22)8-13(16)23/h7-9,15,22-24,27H,3-6H2,1-2H3/t15-/m0/s1 |
| InChI Key | RNOYIZPXILLZCR-HNNXBMFYSA-N |
| Canonical SMILES | CCCCCC(C1=C(C=C2C(=C1O)C(=O)C3=C(C=C(C=C3C2=O)O)O)O)OC |
| CAS | |
| Splash | |
| Other Names | 9,10-Anthracenedione, 1,3,6,8-tetrahydroxy-2-[(1S)-1-methoxyhexyl]- |
In Other Databases
| PubChem | 70684687 |
| ChemSpider | 28515043 |
| ChEMBL | CHEMBL2071289 |