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ChEBI
> Main
CHEBI:79566 - Pregna-5,16,20-triene-3beta,20-diol diacetate
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ChEBI Ontology
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ChEBI Name
Pregna-5,16,20-triene-3beta,20-diol diacetate
ChEBI ID
CHEBI:79566
Stars
This entity has been manually annotated by a third party.
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Formula
C25H34O4
Net Charge
0
Average Mass
398.53510
Monoisotopic Mass
398.24571
InChI
InChI=1S/C25H34O4/c1-
15(28-
16(2)
26)
21-
8-
9-
22-
20-
7-
6-
18-
14-
19(29-
17(3)
27)
10-
12-
24(18,4)
23(20)
11-
13-
25(21,22)
5/h6,8,19-
20,22-
23H,1,7,9-
14H2,2-
5H3/t19-
,20-
,22-
,23-
,24-
,25+/m0/s1
InChIKey
WVWYUFYNHHQVFI-ABVATSDPSA-N
SMILES
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4C(=C)OC(C)=O)[C@@H]3CC=C2C1
ChEBI Ontology
Outgoing
Pregna-5,16,20-triene-3beta,20-diol diacetate (
CHEBI:79566
)
is a
steroid ester (
CHEBI:47880
)
Manual Xref
Database
C15046
KEGG COMPOUND
View more database links