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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:50156 - canrenoic acid
Main
ChEBI Ontology
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ChEBI Name
canrenoic acid
ChEBI ID
CHEBI:50156
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C22H30O4
Net Charge
0
Average Mass
358.47120
Monoisotopic Mass
358.21441
InChI
InChI=1S/C22H30O4/c1-
20-
9-
5-
15(23)
13-
14(20)
3-
4-
16-
17(20)
6-
10-
21(2)
18(16)
7-
11-
22(21,26)
12-
8-
19(24)
25/h3-
4,13,16-
18,26H,5-
12H2,1-
2H3,(H,24,25)
/t16-
,17+,18+,20+,21+,22-
/m1/s1
InChIKey
PBKZPPIHUVSDNM-WNHSNXHDSA-N
SMILES
[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@@]3(O)CCC(O)=O)[C@]1([H])C=CC1=CC(=O)CC[C@]21C
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
canrenoic acid (
CHEBI:50156
)
is a
3-oxo-Δ
4
steroid (
CHEBI:47909
)
canrenoic acid (
CHEBI:50156
)
is a
monocarboxylic acid (
CHEBI:25384
)
canrenoic acid (
CHEBI:50156
)
is a
steroid acid (
CHEBI:47891
)
canrenoic acid (
CHEBI:50156
)
is conjugate acid of
canrenoate (
CHEBI:50159
)
Incoming
canrenoate (
CHEBI:50159
)
is conjugate base of
canrenoic acid (
CHEBI:50156
)
IUPAC Name
17β-hydroxy-3-oxo-21a-homopregna-4,6-dien-21a-oic acid
INNs
Sources
acide canrenoïque
ChemIDplus
ácido canrenoico
ChemIDplus
acidum canrenoicum
ChemIDplus
canrenoic acid
ChemIDplus
Synonym
Source
3-
[(8
R
,9
S
,10
R
,13
S
,14
S
,17
R
)-
17-
hydroxy-
10,13-
dimethyl-
3-
oxo-
2,3,8,9,10,11,12,13,14,15,16,17-
dodecahydro-
1
H
-
cyclopenta[
a
]phenanthren-
17-
yl]propanoic acid
IUPAC
Manual Xref
Database
477
DrugCentral
View more database links
Registry Numbers
Types
Sources
4138-96-9
CAS Registry Number
ChemIDplus
6234486
Beilstein Registry Number
Beilstein
Last Modified
22 February 2017