Estriol
9771
Reference
Estriol Structure
Systematic / IUPAC Name: (16α,17β)-Estra-1(10),2,4-triene-3,16,17-triol
ID: Reference9771
Other Names:
(16α,17β)-Estra-1,3,5(10)-triene-3,16,17-triol;
(16α,17β)-Oestra-1,3,5(10)-triene-3,16,17-triol;
1,3,5(10)-Estratriene-3,16,17-triol;
1,3,5(10)-Estratriene-3,16-α,17β-triol;
1,3,5-Estratriene-3β,16α,17β-triol
; more
Formula: C18H24O3
Class: Endogenous Metabolites
Spectral Data
Estriol 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 with FAIMS |
| No. of Spectral Trees | 2 |
| No. of Spectra | 2328 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/22/2020 4:19:39 PM |
Identificators
| InChI | InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1 |
| InChI Key | PROQIPRRNZUXQM-ZXXIGWHRSA-N |
| Canonical SMILES | CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O |
| CAS | 50271 |
| Splash | |
| Other Names |
(16α,17β)-Estra-1,3,5(10)-triene-3,16,17-triol; (16α,17β)-Oestra-1,3,5(10)-triene-3,16,17-triol; 1,3,5(10)-Estratriene-3,16,17-triol; 1,3,5(10)-Estratriene-3,16-α,17β-triol; 1,3,5-Estratriene-3β,16α,17β-triol; 1,3,5-Oestratriene-3β,16α,17β-triol; 16 α-Estriol; 16a,17b-Estriol; 16a-Estriol; 16α,17β-Estriol; 16α,17β-Oestriol; 3,16a,17b-Estriol; 3,16α,17β-Estriol; 3,16-α,17-β-Oestriol; 4-06-00-07550 (Beilstein Handbook Reference); Aacifemine; Colpogyn; Destriol; Deuslon A; Estra-1(10),2,4-triene-3,16,17-triol, (16α,17β)-; Estra-1,3,5(10)-trien-3,16α,17β-triol; Estra-1,3,5(10)-triene-3,16,17-triol; Estra-1,3,5(10)-triene-3,16,17-triol, (16a,17b)-; Estra-1,3,5(10)-triene-3,16,17-triol, (16α,17β)-; Estra-1,3,5(10)-triene-3,16a,17b-triol; Estra-1,3,5(10)-triene-3,16α,17β-triol; Estratriol; Estriel; Gynaesan; Gynasan; Hemostyptanon; Holin; Holin V; Hormomed; Hormonin; Incurin; Klimax E; Klimoral; Oestra-1,3,5(10)-triene-3,16α,17β-triol; Oestratriol; Oestriol; Oestriol [steroidal oestrogens]; Oestriolum; Orestin; Orgastyptin; o-Gynest; Overstin; Ovesterin; Ovestin; Ovestinon; Ovestrion; Ovo-vinces; Stiptanon; Synapause; Theelol; Thulol; Tridestrin; Triodurin; Triovex; (13S,16R,17R)-13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,16,17-triol; (8R,9S,13S,14S,16R,17R)-13-Methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol; (8R,9S,13S,14S,16R,17R)-13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,16,17-triol; 13b-Methyl-1,3,5(10)-gonatriene-3,16a,17b-triol; 16a-Hydroxyestradiol; 16α-Hydroxy-17β-estradiol; 16α-Hydroxyestradiol; 16α-Hydroxyoestradiol; 16-Hydroxyestradiol; 3,16a,17b-Trihydroxyestra-1,3,5(10)-triene; 3,16α,17β-Trihydroxy-1,3,5(10)-estratriene; 3,16α,17β-Trihydroxy-δ(1,3,5)-estratriene; 3,16α,17β-Trihydroxy-δ-1,3,5-oestratriene; 3,16α,17β-Trihydroxyestra-1,3,5(10)-triene; 3,16-α,17-β-Trihydroxyoestra-1,3,5(10)-triene; Trihydroxyestrin; Trihydroxyoestrin |
In Other Databases
| ChemSpider | 5553 |
| KEGG | C05141 |
| ChEMBL | CHEMBL193482 |
| ChemIDPlus | 000050271 |
| ChEBI | CHEBI:27974 |
| PubChem | 5756; 5756 |
| DrugBank | DB04573 |
| Wikipedia | Estriol |
| HMDb | HMDB0000153 |