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ChEBI
> Main
CHEBI:79767 - 16β-methylpregn-4-ene-3,20-dione
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ChEBI Name
16β-methylpregn-4-ene-3,20-dione
ChEBI ID
CHEBI:79767
ChEBI ASCII Name
16beta-methylpregn-4-ene-3,20-dione
Definition
A 3-oxo Δ
4
-steroid that is progesterone substituted by a β-methyl group at position 16.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C22H32O2
Net Charge
0
Average Mass
328.48830
Monoisotopic Mass
328.24023
InChI
InChI=1S/C22H32O2/c1-
13-
11-
19-
17-
6-
5-
15-
12-
16(24)
7-
9-
21(15,3)
18(17)
8-
10-
22(19,4)
20(13)
14(2)
23/h12-
13,17-
20H,5-
11H2,1-
4H3/t13-
,17+,18-
,19-
,20+,21-
,22-
/m0/s1
InChIKey
JYYRDDFNMDZIIP-HQJDTPGISA-N
SMILES
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O
ChEBI Ontology
Outgoing
16β-methylpregn-4-ene-3,20-dione (
CHEBI:79767
)
has functional parent
progesterone (
CHEBI:17026
)
16β-methylpregn-4-ene-3,20-dione (
CHEBI:79767
)
has parent hydride
pregnane (
CHEBI:8386
)
16β-methylpregn-4-ene-3,20-dione (
CHEBI:79767
)
is a
20-oxo steroid (
CHEBI:36885
)
16β-methylpregn-4-ene-3,20-dione (
CHEBI:79767
)
is a
3-oxo-Δ
4
steroid (
CHEBI:47909
)
IUPAC Name
16β-methylpregn-4-ene-3,20-dione
Synonym
Source
16beta-Methylprogesterone
KEGG COMPOUND
Manual Xref
Database
C15265
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
1424-09-5
CAS Registry Number
ChemIDplus
3121535
Reaxys Registry Number
Reaxys
Citation
Type
Source
694971
PubMed citation
Europe PMC
Last Modified
03 March 2015