Estriol 17-sulfate
1364
Reference
Estriol 17-sulfate Structure
Systematic / IUPAC Name: (16α,17β)-3,16-Dihydroxyestra-1,3,5(10)-trien-17-yl hydrogen sulfate
ID: Reference1364
Other Names: Estriol-17-sulfate
Formula: C18H24O6S
Class: Endogenous Metabolites
Spectral Data
Estriol 17-sulfate 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 Elite |
| No. of Spectral Trees | 1 |
| No. of Spectra | 213 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 12/4/2014 8:05:42 AM |
Identificators
| InChI | InChI=1S/C18H24O6S/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)24-25(21,22)23/h3,5,8,13-17,19-20H,2,4,6-7,9H2,1H3,(H,21,22,23)/t13-,14-,15+,16-,17+,18+/m1/s1 |
| InChI Key | HTAOZBHEZQGPLH-ZXXIGWHRSA-N |
| Canonical SMILES | CC12CCC3C(C1CC(C2OS(=O)(=O)O)O)CCC4=C3C=CC(=C4)O |
| CAS | 42028217 |
| Splash | |
| Other Names | Estriol-17-sulfate |