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17beta-estradiol 3-O-carboxymethyl ether

Go to external page http://purl.obolibrary.org/obo/CHEBI_138727

A 17beta-hydroxy steroid that is 17beta-estradiol in which the 3-hydroxy group carries a carboxymethyl substituent.

Term info

Label

17beta-estradiol 3-O-carboxymethyl ether

Synonyms
  • {[17beta-hydroxyestra-1,3,5(10)-trien-3-yl]oxy}acetic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
{[17beta-hydroxyestra-1,3,5(10)-trien-3-yl]oxy}acetic acid [ IUPAC ]

charge

0

formula

C20H26O4

has obo namespace

chebi_ontology

has related synonym

Estradiol-3-O-carboxymethyl ether, EDCME, E23CME, ((17beta-hydroxyestra-1,3,5(10)-trien-3-yl)oxy)acetic acid, {[(17beta)-17-hydroxyestra-1,3,5(10)-trien-3-yl]oxy}acetic acid, estradiol-3-O-carboxymethyl ether

id

CHEBI:138727

inchi

InChI=1S/C20H26O4/c1-20-9-8-15-14-5-3-13(24-11-19(22)23)10-12(14)2-4-16(15)17(20)6-7-18(20)21/h3,5,10,15-18,21H,2,4,6-9,11H2,1H3,(H,22,23)/t15-,16-,17+,18+,20+/m1/s1

inchikey

DFDLVUUNTZHQBI-JGLNRKDHSA-N

mass

330.419

monoisotopicmass

330.18311

smiles

C1[C@]2([C@]3([C@@](C4=C(C=C(OCC(=O)O)C=C4)CC3)(CC[C@@]2([C@@H](O)C1)C)[H])[H])[H]