4-(3,4-Dihydroxyphenyl)-7-methoxy-2-oxo-2H-chromen-5-yl 6-O-[3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]hexopyranoside
7764
Reference
4-(3,4-Dihydroxyphenyl)-7-methoxy-2-oxo-2H-chromen-5-yl 6-O-[3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]hexopyranoside Structure
Systematic / IUPAC Name: 5-(6-{[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl}-3,4,5-trihydroxyoxan-2-yl)oxy-4-(3,4-dihydroxyphenyl)-7-methoxychromen-2-one
ID: Reference7764
Other Names: 2H-1-Benzopyran-2-one, 4-(3,4-dihydroxyphenyl)-7-methoxy-5-({6-O-[tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]hexopyranosyl}oxy)-
Formula: C27H30O15
Spectral Data
4-(3,4-Dihydroxyphenyl)-7-methoxy-2-oxo-2H-chromen-5-yl 6-O-[3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]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 FAIMS |
| No. of Spectral Trees | 1 |
| No. of Spectra | 162 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/13/2018 7:10:42 AM |
Identificators
| InChI | InChI=1S/C27H30O15/c1-37-12-5-16-20(13(7-19(31)40-16)11-2-3-14(29)15(30)4-11)17(6-12)41-25-23(34)22(33)21(32)18(42-25)8-38-26-24(35)27(36,9-28)10-39-26/h2-7,18,21-26,28-30,32-36H,8-10H2,1H3 |
| InChI Key | KNCNSYQYJUBLPW-UHFFFAOYSA-N |
| Canonical SMILES | COC1=CC(=C2C(=CC(=O)OC2=C1)C3=CC(=C(C=C3)O)O)OC4C(C(C(C(O4)COC5C(C(CO5)(CO)O)O)O)O)O |
| CAS | |
| Splash | |
| Other Names | 2H-1-Benzopyran-2-one, 4-(3,4-dihydroxyphenyl)-7-methoxy-5-({6-O-[tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]hexopyranosyl}oxy)- |