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ChEBI
> Main
CHEBI:79672 - 4beta,5beta-Epoxypregnane-3,20-dione
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ChEBI Ontology
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ChEBI Name
4beta,5beta-Epoxypregnane-3,20-dione
ChEBI ID
CHEBI:79672
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-
12(22)
14-
4-
5-
15-
13-
6-
11-
21-
18(24-
21)
17(23)
8-
10-
20(21,3)
16(13)
7-
9-
19(14,15)
2/h13-
16,18H,4-
11H2,1-
3H3/t13-
,14+,15-
,16-
,18-
,19+,20+,21-
/m0/s1
InChIKey
AHUAGQAMTIBPDR-JFYOIKPISA-N
SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@]45O[C@H]4C(=O)CC[C@]5(C)[C@H]3CC[C@]12C
ChEBI Ontology
Outgoing
4beta,5beta-Epoxypregnane-3,20-dione (
CHEBI:79672
)
has parent hydride
pregnane (
CHEBI:8386
)
4beta,5beta-Epoxypregnane-3,20-dione (
CHEBI:79672
)
is a
steroid (
CHEBI:35341
)
Manual Xref
Database
C15154
KEGG COMPOUND
View more database links