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ChEBI
> Main
CHEBI:79762 - 5β-pregn-11-ene-3,20-dione
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ChEBI Ontology
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ChEBI Name
5β-pregn-11-ene-3,20-dione
ChEBI ID
CHEBI:79762
ChEBI ASCII Name
5beta-pregn-11-ene-3,20-dione
Definition
A C
21
-steroid that is 5β-pregn-11-ene substituted by oxo groups at positions 3 and 20.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
Formula
C21H30O2
Net Charge
0
Average Mass
314.46170
Monoisotopic Mass
314.22458
InChI
InChI=1S/C21H30O2/c1-
13(22)
17-
6-
7-
18-
16-
5-
4-
14-
12-
15(23)
8-
10-
20(14,2)
19(16)
9-
11-
21(17,18)
3/h9,11,14,16-
19H,4-
8,10,12H2,1-
3H3/t14-
,16+,17-
,18+,19+,20+,21-
/m1/s1
InChIKey
ZQTJQOPWOKKYDC-XWOJZHJZSA-N
SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C=C[C@]12C
ChEBI Ontology
Outgoing
5β-pregn-11-ene-3,20-dione (
CHEBI:79762
)
has parent hydride
pregnane (
CHEBI:8386
)
5β-pregn-11-ene-3,20-dione (
CHEBI:79762
)
is a
20-oxo steroid (
CHEBI:36885
)
5β-pregn-11-ene-3,20-dione (
CHEBI:79762
)
is a
3-oxo-5β-steroid (
CHEBI:1624
)
5β-pregn-11-ene-3,20-dione (
CHEBI:79762
)
is a
C
21
-steroid (
CHEBI:61313
)
IUPAC Name
5β-pregn-11-ene-3,20-dione
Manual Xref
Database
C15260
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
1096-39-5
CAS Registry Number
ChemIDplus
2296564
Reaxys Registry Number
Reaxys
Last Modified
26 April 2017