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estetrol

Go to external page http://purl.obolibrary.org/obo/CHEBI_142773

A 3-hydroxy steroid that is 17beta-estradiol which has been substituted at the 15alpha and 16alpha positions by two additional hydroxy groups. It is a natural estrogen produced exclusively during pregnancy by the fetal liver.

Term info

Label

estetrol

Synonyms
  • estra-1(10),2,4-triene-3,15alpha,16alpha,17beta-tetrol
database cross reference
Subsets

3_STAR

BRAND NAME
Donesta [ ChEBI ]

INN
estetrolum [ WHO_MedNet ]

INN
estetrol [ WHO_MedNet ]

IUPAC NAME
estra-1(10),2,4-triene-3,15alpha,16alpha,17beta-tetrol [ IUPAC ]

charge

0

formula

C18H24O4

has obo namespace

chebi_ontology

has related synonym

(15alpha,16alpha,17beta)-estra-1(10),2,4-triene-3,15,16,17-tetrol, 15alpha-hydroxyestriol, estra-1,3,5(10)-triene-3,15alpha,16alpha,17beta-tetrol, Donesta, estetrol, estetrolum, 3,15alpha,16alpha,17beta-tetrahydroxyestra-1,3,5(10)-triene, (8R,9S,13S,14S,15R,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,15,16,17-tetrol, oestetrol

id

CHEBI:142773

inchi

InChI=1S/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16-,17+,18+/m1/s1

inchikey

AJIPIJNNOJSSQC-NYLIRDPKSA-N

mass

304.381

monoisotopicmass

304.16746

smiles

C12=CC=C(C=C1CC[C@@]3([C@@]2(CC[C@]4([C@]3([C@H]([C@H]([C@@H]4O)O)O)[H])C)[H])[H])O