1-[2-O-Acetyl-5-O-{3-[(1-carboxyvinyl)oxy]-4-hydroxybenzoyl}-3-O-(4-hydroxy-2-methoxy-6-methylbenzoyl)pentofuranosyl]-2,4(1H,3H)-pyrimidinedione
8173
Reference
1-[2-O-Acetyl-5-O-{3-[(1-carboxyvinyl)oxy]-4-hydroxybenzoyl}-3-O-(4-hydroxy-2-methoxy-6-methylbenzoyl)pentofuranosyl]-2,4(1H,3H)-pyrimidinedione Structure
Systematic / IUPAC Name: 2-[5-[[4-Acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-3-(4-hydroxy-2-methoxy-6-methylbenzoyl)oxyoxolan-2-yl]methoxycarbonyl]-2-hydroxyphenoxy]prop-2-enoic acid
ID: Reference8173
Other Names: 2,4(1H,3H)-Pyrimidinedione, 1-[2-O-acetyl-5-O-[3-[(1-carboxyethenyl)oxy]-4-hydroxybenzoyl]-3-O-(4-hydroxy-2-methoxy-6-methylbenzoyl)pentofuranosyl]-
Formula: C30H28N2O15
Spectral Data
1-[2-O-Acetyl-5-O-{3-[(1-carboxyvinyl)oxy]-4-hydroxybenzoyl}-3-O-(4-hydroxy-2-methoxy-6-methylbenzoyl)pentofuranosyl]-2,4(1H,3H)-pyrimidinedione 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 12:26:17 PM |
Identificators
| InChI | InChI=1S/C30H28N2O15/c1-13-9-17(34)11-20(42-4)23(13)29(40)47-24-21(46-26(25(24)45-15(3)33)32-8-7-22(36)31-30(32)41)12-43-28(39)16-5-6-18(35)19(10-16)44-14(2)27(37)38/h5-11,21,24-26,34-35H,2,12H2,1,3-4H3,(H,37,38)(H,31,36,41) |
| InChI Key | QPTBIDGWTVNLQQ-UHFFFAOYSA-N |
| Canonical SMILES | CC1=CC(=CC(=C1C(=O)OC2C(OC(C2OC(=O)C)N3C=CC(=O)NC3=O)COC(=O)C4=CC(=C(C=C4)O)OC(=C)C(=O)O)OC)O |
| CAS | |
| Splash | |
| Other Names | 2,4(1H,3H)-Pyrimidinedione, 1-[2-O-acetyl-5-O-[3-[(1-carboxyethenyl)oxy]-4-hydroxybenzoyl]-3-O-(4-hydroxy-2-methoxy-6-methylbenzoyl)pentofuranosyl]- |