Estrone

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Systematic / IUPAC Name: 3-Hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

ID: Reference1219

Other Names: Ketohydroxyestrin;
Ketohydroxyoestrin;
3-Hydroxyestra-1,3,5(10)-trien-17-one;
3-Hydroxy-17-keto-estra-1,3,5-triene;
Estra-1,3,5(10)-trien-17-one, 3-hydroxy- ; more

Formula: C18H22O2

Class: Endogenous Metabolites

Spectral Data

Estrone 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 Orbitrap Elite; Orbitrap Fusion with FAIMS ; Q Exactive Orbitrap
No. of Spectral Trees 6
No. of Spectra 5152
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI; APCI; NSI
Analyzers FT
Last Modification 8/21/2020 10:05:23 AM
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Identificators

InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
InChI Key DNXHEGUUPJUMQT-CBZIJGRNSA-N
Canonical SMILES CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O
CAS 53167
Splash
Other Names Ketohydroxyestrin;
Ketohydroxyoestrin;
3-Hydroxyestra-1,3,5(10)-trien-17-one;
3-Hydroxy-17-keto-estra-1,3,5-triene;
Estra-1,3,5(10)-trien-17-one, 3-hydroxy-;
Estra-1(10),2,4-trien-17-one, 3-hydroxy-;
(8R,9S,13S,14S)-3-Hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;
3-Hydroxyestra-1(10),2,4-trien-17-one;
Folliculin;
Oestrone;
Theelin;
Disynformon;
Estrugenone;
Folliculine;
Follicunodis;
Glandubolin;
Hiestrone;
Hormestrin;
Kestrone;
Oestroform;
Thelykinin;
Estron;
Femidyn;
Folipex;
Folisan;
Kolpon;
Estrone-A;
Crinovaryl;
Cristallovar;
Follestrine;
Hormofollin;
Hormovarine;
Ketodestrin;
Thelestrin;
Destrone;
Estrusol;
Folikrin;
Menformon;
Oestrin;
Ovifollin;
Perlatan;
Tokokin;
Wynestron;
Estrona;
1,3,5(10)-Estratrien-3-ol-17-one;
Estrol;
δ-1,3,5-Estratrien-3β-ol-17-one;
(+)-Estrone

In Other Databases

LipidsMAPs LMST02010004
ChEMBL CHEMBL1405
ChemSpider 5660
Wikipedia Estrone
DrugBank APRD00588
PubChem 5870
HMDb HMDB00145
ChemIDPlus 000053167
ChEBI CHEBI:17263
KEGG C00468; D00067