5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-4-O-(6-deoxyhexopyranosyl)hexopyranoside
5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-4-O-(6-deoxyhexopyranosyl)hexopyranoside Structure
Systematic / IUPAC Name: 5-[[4,5-Dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-3-yl]oxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
ID: Reference8034
Other Names: Hexopyranoside, 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-1-benzopyran-3-yl 4-O-(6-deoxyhexopyranosyl), 6-(4-carboxy-3-hydroxy-3-methylbutanoate)
Formula: C34H40O19
Spectral Data
5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-4-O-(6-deoxyhexopyranosyl)hexopyranoside 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 |
| No. of Spectral Trees | 3 |
| No. of Spectra | 8063 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/6/2018 7:21:39 AM |
Identificators
| InChI | InChI=1S/C34H40O19/c1-13-23(40)25(42)27(44)32(49-13)52-30-19(12-48-21(39)11-34(2,46)10-20(37)38)51-33(28(45)26(30)43)53-31-24(41)22-17(36)8-16(47-3)9-18(22)50-29(31)14-4-6-15(35)7-5-14/h4-9,13,19,23,25-28,30,32-33,35-36,40,42-46H,10-12H2,1-3H3,(H,37,38) |
| InChI Key | VGOJYSUPEJWUNN-UHFFFAOYSA-N |
| Canonical SMILES | CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC)C5=CC=C(C=C5)O)COC(=O)CC(C)(CC(=O)O)O)O)O)O |
| CAS | |
| Splash | |
| Other Names | Hexopyranoside, 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-1-benzopyran-3-yl 4-O-(6-deoxyhexopyranosyl), 6-(4-carboxy-3-hydroxy-3-methylbutanoate) |