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2-methoxy-17beta-estradiol

Go to external page http://purl.obolibrary.org/obo/CHEBI_28955

A 17beta-hydroxy steroid, being 17beta-estradiol methoxylated at C-2.

Term info

Label

2-methoxy-17beta-estradiol

Synonyms
  • 2-methoxy-17beta-estradiol
  • 2-methoxyestra-1,3,5(10)-triene-3,17beta-diol
database cross reference
Subsets

3_STAR

IUPAC NAME
2-methoxyestra-1,3,5(10)-triene-3,17beta-diol [ IUPAC ]

charge

0

formula

C19H26O3

has alternative id

CHEBI:19675, CHEBI:42274, CHEBI:1187

has obo namespace

chebi_ontology

has related synonym

2-methoxyestradiol, Panzem, 2-Methoxyestradiol-17beta, 1,3,5(10)-ESTRATRIEN-2,3,17-BETA-TRIOL 2-METHYL ETHER, 2-Hydroxyestradol 2-methyl ether

id

CHEBI:28955

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

mass

302.40794

monoisotopicmass

302.18819

smiles

[H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)c(OC)cc21