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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:31275 - betamethasone acetate
Main
ChEBI Ontology
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ChEBI Name
betamethasone acetate
ChEBI ID
CHEBI:31275
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C24H31FO6
Net Charge
0
Average Mass
434.49774
Monoisotopic Mass
434.21047
InChI
InChI=1S/C24H31FO6/c1-
13-
9-
18-
17-
6-
5-
15-
10-
16(27)
7-
8-
21(15,3)
23(17,25)
19(28)
11-
22(18,4)
24(13,30)
20(29)
12-
31-
14(2)
26/h7-
8,10,13,17-
19,28,30H,5-
6,9,11-
12H2,1-
4H3/t13-
,17-
,18-
,19-
,21-
,22-
,23-
,24-
/m0/s1
InChIKey
AKUJBENLRBOFTD-QZIXMDIESA-N
SMILES
[H][C@@]12C[C@H](C)[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
ChEBI Ontology
Outgoing
betamethasone acetate (
CHEBI:31275
)
has functional parent
betamethasone (
CHEBI:3077
)
betamethasone acetate (
CHEBI:31275
)
is a
11β-hydroxy steroid (
CHEBI:35346
)
betamethasone acetate (
CHEBI:31275
)
is a
17α-hydroxy steroid (
CHEBI:35342
)
betamethasone acetate (
CHEBI:31275
)
is a
20-oxo steroid (
CHEBI:36885
)
betamethasone acetate (
CHEBI:31275
)
is a
3-oxo-Δ
1
,Δ
4
-steroid (
CHEBI:77166
)
betamethasone acetate (
CHEBI:31275
)
is a
acetate ester (
CHEBI:47622
)
betamethasone acetate (
CHEBI:31275
)
is a
fluorinated steroid (
CHEBI:50830
)
betamethasone acetate (
CHEBI:31275
)
is a
steroid ester (
CHEBI:47880
)
betamethasone acetate (
CHEBI:31275
)
is a
tertiary α-hydroxy ketone (
CHEBI:139592
)
IUPAC Name
9-fluoro-11β,17-dihydroxy-16β-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate
Synonym
Source
9-Fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione 21-acetate
ChemIDplus
Manual Xrefs
Databases
349
DrugCentral
D01402
KEGG DRUG
DB00443
DrugBank
View more database links
Registry Numbers
Types
Sources
3228669
Beilstein Registry Number
Beilstein
987-24-6
CAS Registry Number
ChemIDplus
Last Modified
07 February 2018