Hexestrol
1632
Reference
Hexestrol Structure
Systematic / IUPAC Name: 4-[4-(4-Hydroxyphenyl)hexan-3-yl]phenol
ID: Reference1632
Other Names:
Dihydrodiethylstilbestrol;
Hexanestrol;
3,4-Bis(p-hydroxyphenyl)hexane;
Hexane, 3,4-bis(4-hydroxyphenyl)-;
Hexoestrolum
; more
Formula: C18H22O2
Class: Pesticides/Herbicides
Spectral Data
Hexestrol 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 | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 41 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 12/2/2014 11:35:00 AM |
Identificators
| InChI | InChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3 |
| InChI Key | PBBGSZCBWVPOOL-UHFFFAOYSA-N |
| Canonical SMILES | CCC(C1=CC=C(C=C1)O)C(CC)C2=CC=C(C=C2)O |
| CAS | 84162 |
| Splash | |
| Other Names |
Dihydrodiethylstilbestrol; Hexanestrol; 3,4-Bis(p-hydroxyphenyl)hexane; Hexane, 3,4-bis(4-hydroxyphenyl)-; Hexoestrolum; Cycloestrol; Exestrol; Vitestrol; Stilbestrol, dihydro-; Isohexestrol; Synoestrolum; DL-Hexestrol; Dihydrostilbestrol; Hormoestrol; Syntrogene; Synthovo; Estrifar; Estronal; Hexron; Erythrohexestrol |