(2R,3R,4R,5R,6S)-2-{[(2S,3R)-7-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-3-yl]methoxy}-6-methyloxane-3,4,5-triol
8100
Reference
(2R,3R,4R,5R,6S)-2-{[(2S,3R)-7-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-3-yl]methoxy}-6-methyloxane-3,4,5-triol Structure
Systematic / IUPAC Name: (2R,3R,4R,5R,6S)-2-{[(2S,3R)-7-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-3-yl]methoxy}-6-methyloxane-3,4,5-triol
ID: Reference8100
Other Names:
Formula: C25H32O10
Spectral Data
(2R,3R,4R,5R,6S)-2-{[(2S,3R)-7-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-3-yl]methoxy}-6-methyloxane-3,4,5-triol 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 | 161 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/20/2018 7:34:24 AM |
Identificators
| InChI | InChI=1S/C25H32O10/c1-12-20(29)21(30)22(31)25(34-12)33-11-16-15-8-13(4-3-7-26)9-18(28)24(15)35-23(16)14-5-6-17(27)19(10-14)32-2/h5-6,8-10,12,16,20-23,25-31H,3-4,7,11H2,1-2H3/t12-,16-,20-,21+,22+,23+,25+/m0/s1 |
| InChI Key | DKOVFEOUMNYYQW-LGOGNIDDSA-N |
| Canonical SMILES | CC1C(C(C(C(O1)OCC2C(OC3=C(C=C(C=C23)CCCO)O)C4=CC(=C(C=C4)O)OC)O)O)O |
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| Other Names |
In Other Databases
| PubChem | 21589940 |