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ChEBI
> Main
CHEBI:79650 - 11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione
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ChEBI Ontology
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ChEBI Name
11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione
ChEBI ID
CHEBI:79650
Stars
This entity has been manually annotated by a third party.
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Formula
C21H30O3
Net Charge
0
Average Mass
330.46110
Monoisotopic Mass
330.21949
InChI
InChI=1S/C21H30O3/c1-
11(22)
15-
6-
7-
16-
14-
5-
4-
12-
10-
13(23)
8-
9-
20(12,2)
17(14)
18-
19(24-
18)
21(15,16)
3/h12,14-
19H,4-
10H2,1-
3H3/t12-
,14+,15-
,16+,17-
,18+,19+,20+,21-
/m1/s1
InChIKey
ZUTUSHGUIOPVJS-UICWUCEBSA-N
SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3[C@@H]3O[C@@H]3[C@]12C
ChEBI Ontology
Outgoing
11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione (
CHEBI:79650
)
is a
3-oxo-5β-steroid (
CHEBI:1624
)
Manual Xref
Database
C15132
KEGG COMPOUND
View more database links
Last Modified
26 April 2017