1,5-Anhydro-6-deoxy-2-O-(6-deoxy-α-L-mannopyranosyl)-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]hexitol
8171
Reference
1,5-Anhydro-6-deoxy-2-O-(6-deoxy-α-L-mannopyranosyl)-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]hexitol Structure
Systematic / IUPAC Name: 6-[4,5-Dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
ID: Reference8171
Other Names: Hexitol, 1,5-anhydro-6-deoxy-2-O-(6-deoxy-α-L-mannopyranosyl)-1-C-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-
Formula: C27H30O13
Spectral Data
1,5-Anhydro-6-deoxy-2-O-(6-deoxy-α-L-mannopyranosyl)-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]hexitol 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 | 8/23/2018 8:44:54 AM |
Identificators
| InChI | InChI=1S/C27H30O13/c1-9-20(32)23(35)26(40-27-24(36)22(34)19(31)10(2)38-27)25(37-9)18-14(30)8-16-17(21(18)33)13(29)7-15(39-16)11-3-5-12(28)6-4-11/h3-10,19-20,22-28,30-36H,1-2H3/t9?,10-,19-,20?,22+,23?,24+,25?,26?,27-/m0/s1 |
| InChI Key | ZUUPZDSDPDQRJK-VXPJCVMDSA-N |
| Canonical SMILES | CC1C(C(C(C(O1)C2=C(C=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)O)OC5C(C(C(C(O5)C)O)O)O)O)O |
| CAS | |
| Splash | |
| Other Names | Hexitol, 1,5-anhydro-6-deoxy-2-O-(6-deoxy-α-L-mannopyranosyl)-1-C-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]- |