meso-Hexestrol

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Systematic / IUPAC Name: 4-[(3R,4S)-4-(4-Hydroxyphenyl)-3-hexanyl]phenol

ID: Reference2883

Other Names: Cycloestrol;
Estra-plex;
Estrifar;
Extra-plex;
Hexanoestrol ; more

Formula: C18H22O2

Class: Therapeutics/Prescription Drugs

Spectral Data

meso-Hexestrol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 133
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/1/2015 9:03:12 AM
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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/t17-,18+
InChI Key PBBGSZCBWVPOOL-HDICACEKSA-N
Canonical SMILES CCC(C1=CC=C(C=C1)O)C(CC)C2=CC=C(C=C2)O
CAS 84162
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Other Names Cycloestrol;
Estra-plex;
Estrifar;
Extra-plex;
Hexanoestrol;
Hexestrofen;
Hexoestrol;
Hexron;
Hormoestrol;
Synthovo;
Syntrogene;
γ,δ-bis(p-Hydroxyphenyl)-hexane ;
3,4-bis(p-Hydroxyphenyl)hexane ;
4-[(2S,1R)-1-Ethyl-2-(4-hydroxyphenyl)butyl]phenol;
Hexestrol(bibenzyl);
Meso-3,4-bis(p-hydroxyphenyl)-n-hexane

In Other Databases

DrugBank DB07931
PubChem 192197
ChemSpider 166848
ChEMBL CHEMBL9225
KEGG C13101