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CHEBI:50156 - canrenoic acid
| Formula | C22H30O4 |
| Net Charge | 0 |
| Average Mass | 358.478 |
| Monoisotopic Mass | 358.21441 |
| SMILES | [H][C@@]12C=CC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@](O)(CCC(=O)O)CC[C@@]21[H] |
| 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 |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Relation(s) |
| 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 | Source |
|---|---|
| canrenoic acid | ChemIDplus |
| acide canrenoïque | ChemIDplus |
| ácido canrenoico | ChemIDplus |
| acidum canrenoicum | 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 |