1,7-Bis(3,4-dihydroxyphenyl)-5-oxo-3-heptanyl 6-O-[(2E)-3-(3,4-dimethoxyphenyl)-2-propenoyl]-β-D-glucopyranoside
8084
Reference
1,7-Bis(3,4-dihydroxyphenyl)-5-oxo-3-heptanyl 6-O-[(2E)-3-(3,4-dimethoxyphenyl)-2-propenoyl]-β-D-glucopyranoside Structure
Systematic / IUPAC Name: [(2R,3S,4S,5R,6R)-6-[1,7-Bis(3,4-dihydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
ID: Reference8084
Other Names: 3-Heptanone, 1,7-bis(3,4-dihydroxyphenyl)-5-({6-O-[(2E)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl}oxy)-
Formula: C36H42O14
Spectral Data
1,7-Bis(3,4-dihydroxyphenyl)-5-oxo-3-heptanyl 6-O-[(2E)-3-(3,4-dimethoxyphenyl)-2-propenoyl]-β-D-glucopyranoside 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 | 6/25/2018 8:18:00 AM |
Identificators
| InChI | InChI=1S/C36H42O14/c1-46-29-13-7-22(17-30(29)47-2)8-14-32(42)48-19-31-33(43)34(44)35(45)36(50-31)49-24(10-4-21-6-12-26(39)28(41)16-21)18-23(37)9-3-20-5-11-25(38)27(40)15-20/h5-8,11-17,24,31,33-36,38-41,43-45H,3-4,9-10,18-19H2,1-2H3/b14-8+/t24?,31-,33-,34+,35-,36-/m1/s1 |
| InChI Key | QXXKEARZEYWTST-QLHFFRPFSA-N |
| Canonical SMILES | COC1=C(C=C(C=C1)C=CC(=O)OCC2C(C(C(C(O2)OC(CCC3=CC(=C(C=C3)O)O)CC(=O)CCC4=CC(=C(C=C4)O)O)O)O)O)OC |
| CAS | |
| Splash | |
| Other Names | 3-Heptanone, 1,7-bis(3,4-dihydroxyphenyl)-5-({6-O-[(2E)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl}oxy)- |