(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl 4-hydroxybenzoate
7914
Reference
(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl 4-hydroxybenzoate Structure
Systematic / IUPAC Name: (2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl 4-hydroxybenzoate
ID: Reference7914
Other Names:
Formula: C26H24O12
Spectral Data
(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl 4-hydroxybenzoate 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 | 5/10/2018 6:57:41 AM |
Identificators
| InChI | InChI=1S/C26H24O12/c27-10-17-21(33)23(35)25(38-26(36)12-3-7-14(29)8-4-12)24(37-17)19-16(31)9-15(30)18(22(19)34)20(32)11-1-5-13(28)6-2-11/h1-9,17,21,23-25,27-31,33-35H,10H2/t17-,21-,23+,24+,25-/m1/s1 |
| InChI Key | CIQDSZUZMUTHGY-FUFTYFEXSA-N |
| Canonical SMILES | C(=O)(c1ccc(cc1)O)O[C@H]1[C@@H](O[C@@H]([C@@H](O)[C@@H]1O)CO)c1c(cc(c(c1O)C(=O)c1ccc(cc1)O)O)O |
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