CHEBI:50156 - canrenoic acid

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ChEBI Name canrenoic acid
ChEBI ID CHEBI:50156
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H30O4
Net Charge 0
Average Mass 358.47120
Monoisotopic Mass 358.214
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 (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing canrenoic acid (CHEBI:50156) is a 3-oxo-Δ4 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-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,3,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-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