2-Methoxyestradiol

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Systematic / IUPAC Name: 2-Methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

ID: Reference160

Other Names: 2-Methoxyestra-1(10),2,4-triene-3,17-diol;
2-Methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3,17-diol;
Estra-1(10),2,4-triene-3,17-diol, 2-methoxy-;
2-Methoxyestra-1,3,5(10)-triene-3,17-diol

Formula: C19H26O3

Class: Therapeutics/Prescription Drugs

Spectral Data

2-Methoxyestradiol 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 358
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 11/27/2014 9:06:31 AM
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Identificators

InChI InChI=1S/C19H26O3/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/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3
InChI Key CQOQDQWUFQDJMK-UHFFFAOYSA-N
Canonical SMILES Oc1cc4c(cc1OC)C3CCC2(C(CCC2O)C3CC4)C
CAS 362072
Splash
Other Names 2-Methoxyestra-1(10),2,4-triene-3,17-diol;
2-Methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3,17-diol;
Estra-1(10),2,4-triene-3,17-diol, 2-methoxy-;
2-Methoxyestra-1,3,5(10)-triene-3,17-diol

In Other Databases

ChemSpider 1517
Wikipedia 2-Methoxyestradiol
PubChem 1573