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ChEBI
> Main
CHEBI:79806 - 3beta,19-Dihydroxyandrost-5-en-17-one 3-acetate
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ChEBI Ontology
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ChEBI Name
3beta,19-Dihydroxyandrost-5-en-17-one 3-acetate
ChEBI ID
CHEBI:79806
Stars
This entity has been manually annotated by a third party.
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Formula
C21H30O4
Net Charge
0
Average Mass
346.46050
Monoisotopic Mass
346.21441
InChI
InChI=1S/C21H30O4/c1-
13(23)
25-
15-
7-
10-
21(12-
22)
14(11-
15)
3-
4-
16-
17-
5-
6-
19(24)
20(17,2)
9-
8-
18(16)
21/h3,15-
18,22H,4-
12H2,1-
2H3/t15-
,16-
,17-
,18-
,20-
,21+/m0/s1
InChIKey
JDEYENFMPLMNPT-JPRZGNOKSA-N
SMILES
CC(=O)O[C@H]1CC[C@]2(CO)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1
ChEBI Ontology
Outgoing
3beta,19-Dihydroxyandrost-5-en-17-one 3-acetate (
CHEBI:79806
)
is a
steroid ester (
CHEBI:47880
)
Synonym
Source
3beta-Acetoxy-19-hydroxyandrost-5-en-17-one
KEGG COMPOUND
Manual Xref
Database
C15304
KEGG COMPOUND
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