Systematic / IUPAC Name: Ethyl (3,5-dihydroxy-2-octanoylphenyl)acetate
ID: Reference5868
Other Names:
Dothiorelone G;
Benzeneacetic acid, 3,5-dihydroxy-2-(1-oxooctyl)-, ethyl ester;
Ethyl 2-(3,5-dihydroxy-2-octanoylphenyl)acetate;
Csn-B
Formula: C18H26O5
Class: Endogenous Metabolites
Cytosporone B mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Q Exactive Orbitrap |
No. of Spectral Trees | 1 |
No. of Spectra | 119 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | ESI |
Analyzers | FT |
Last Modification | 10/31/2016 12:54:20 PM |
InChI | InChI=1S/C18H26O5/c1-3-5-6-7-8-9-15(20)18-13(11-17(22)23-4-2)10-14(19)12-16(18)21/h10,12,19,21H,3-9,11H2,1-2H3 |
InChI Key | UVVWQQKSNZLUQA-UHFFFAOYSA-N |
Canonical SMILES | CCCCCCCC(=O)C1=C(C=C(C=C1CC(=O)OCC)O)O |
CAS | 321661625 |
Splash | |
Other Names |
Dothiorelone G; Benzeneacetic acid, 3,5-dihydroxy-2-(1-oxooctyl)-, ethyl ester; Ethyl 2-(3,5-dihydroxy-2-octanoylphenyl)acetate; Csn-B |
ChEBI | CHEBI:95039 |
PubChem | 10687292 |
ChEMBL | CHEMBL1221517 |
ChemSpider | 8862638 |