| SpectraBase Spectrum ID |
IVZQJyjl7lr |
| Name |
2-Methoxyestradiol |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
13021 |
| Lot Number |
0453910-7 |
| CAS Registry Number |
362-07-2 |
| Classification |
natural metabolite formed by CYP450-mediated hydroxylation followed by catechol-O-methyltransferase methylation of estradiol |
| Copyright |
Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H26O3 |
| IUPAC Name |
2-Methoxy-estra-1,3,5(10)-triene-3,17β-diol |
| 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 |
| SMILES |
O[C@@]1([C@]2(CC[C@@]3(c4cc(c(cc4CC[C@]3([C@@]2(CC1)[H])[H])O)OC)[H])C)[H] |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
2-Hydroxyestradiol 2-methyl ether; 2-ME2; Panzem; NSC 659853 |
| Technique |
KBr0 |
