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CHEBI:62848 - 11β-hydroxy-17β-estradiol
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ChEBI Name
11β-hydroxy-17β-estradiol
ChEBI ID
CHEBI:62848
ChEBI ASCII Name
11beta-hydroxy-17beta-estradiol
Definition
A 4-hydroxy steroid that consists of 17β-estradiol bearing an additional 11β-hydroxy substituent.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C18H24O3
Net Charge
0
Average Mass
288.38140
Monoisotopic Mass
288.17254
InChI
InChI=1S/C18H24O3/c1-
18-
9-
15(20)
17-
12-
5-
3-
11(19)
8-
10(12)
2-
4-
13(17)
14(18)
6-
7-
16(18)
21/h3,5,8,13-
17,19-
21H,2,4,6-
7,9H2,1H3/t13-
,14-
,15-
,16-
,17+,18-
/m0/s1
InChIKey
IGPOPFXCSGWCLM-FRMKIJSPSA-N
SMILES
[H][C@@]12CCc3cc(O)ccc3[C@@]1([H])[C@@H](O)C[C@]1(C)[C@@H](O)CC[C@@]21[H]
ChEBI Ontology
Outgoing
11β-hydroxy-17β-estradiol (
CHEBI:62848
)
has functional parent
17β-estradiol (
CHEBI:16469
)
11β-hydroxy-17β-estradiol (
CHEBI:62848
)
is a
11β-hydroxy steroid (
CHEBI:35346
)
IUPAC Name
estra-1,3,5(10)-triene-3,11β,17β-triol
Synonyms
Sources
11β-hydroxyestradiol
ChEBI
oestra-1,3,5(10)-triene-3,11β,17β-triol
ChEBI
Registry Numbers
Types
Sources
3210438
Reaxys Registry Number
Reaxys
5444-22-4
CAS Registry Number
Reaxys
Citations
Types
Sources
11812141
PubMed citation
Europe PMC
9357533
PubMed citation
Europe PMC
Last Modified
02 September 2011