2-Methoxyestrone

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Systematic / IUPAC Name: 3-Hydroxy-2-methoxyestra-1(10),2,4-trien-17-one

ID: Reference161

Other Names: Estrone, 2-methoxy-;
2-Methoxy-17-oxoestra-1,3,5(10)-trien-3-ol;
2-Methoxy-3-hydroxyestra-1,3,5(10)-trien-17-one;
Estra-1,3,5(10)-trien-17-one, 3-hydroxy-2-methoxy-;
3-Hydroxy-2-methoxy-1,3,5(10)-estratrien-17-one

Formula: C19H24O3

Class: Endogenous Metabolites

Spectral Data

2-Methoxyestrone 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
No. of Spectral Trees 2
No. of Spectra 348
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 11/12/2014 1:12:11 PM
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Identificators

InChI InChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1
InChI Key WHEUWNKSCXYKBU-QPWUGHHJSA-N
Canonical SMILES O=C4C3(CCC2c1cc(OC)c(O)cc1CCC2C3CC4)C
CAS 362083
Splash
Other Names Estrone, 2-methoxy-;
2-Methoxy-17-oxoestra-1,3,5(10)-trien-3-ol;
2-Methoxy-3-hydroxyestra-1,3,5(10)-trien-17-one;
Estra-1,3,5(10)-trien-17-one, 3-hydroxy-2-methoxy-;
3-Hydroxy-2-methoxy-1,3,5(10)-estratrien-17-one;
3-Hydroxy-2-methoxy-estra-1,3,5(10)-trien-17-one

In Other Databases

ChEBI CHEBI:1189
KEGG C05299
PubChem 440624
HMDb HMDB00010
ChEMBL CHEMBL425194
ChemSpider 389515