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2-Methoxyestradiol

View entire compound with spectra: 2 NMR, 4 FTIR, and 2 Raman

2-Methoxyestradiol
SpectraBase Compound ID 1LH8SGaz02b
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/t12-,13+,15-,18-,19-/m0/s1
InChIKey CQOQDQWUFQDJMK-SSTWWWIQSA-N
Mol Weight 302.41 g/mol
Molecular Formula C19H26O3
Exact Mass 302.188195 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID KbVOpxDVi1x
Name 2-Methoxyestradiol
Source of Sample Cayman Chemical Company
Catalog Number 13021
Lot Number 0453910-7
Accessory DurasamplIR II
CAS Registry Number 362-07-2
Classification natural metabolite formed by CYP450-mediated hydroxylation followed by catechol-O-methyltransferase methylation of estradiol
Copyright Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O3
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/t12-,13+,15-,18-,19-/m0/s1
InChIKey CQOQDQWUFQDJMK-SSTWWWIQSA-N
Instrument Name Bio-Rad FTS
Source of Spectrum Forensic Spectral Research
Synonyms 2-Methoxyestra-1,3,5(10)-triene-3,17β-diol; 2-Hydroxyestradiol 2-methyl ether; 2-ME2; Panzem
Technique ATR-Neat (DuraSamplIR II)