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CHEBI:62043 - 3β-hydroxy-5α-pregnan-20-one hemisuccinate
| Formula | C25H38O5 |
| Net Charge | 0 |
| Average Mass | 418.574 |
| Monoisotopic Mass | 418.27192 |
| SMILES | [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](C(C)=O)CC[C@@]34[H])[C@@]1(C)CC[C@H](OC(=O)CCC(=O)O)C2 |
| InChI | InChI=1S/C25H38O5/c1-15(26)19-6-7-20-18-5-4-16-14-17(30-23(29)9-8-22(27)28)10-12-24(16,2)21(18)11-13-25(19,20)3/h16-21H,4-14H2,1-3H3,(H,27,28)/t16-,17-,18-,19+,20-,21-,24-,25+/m0/s1 |
| InChIKey | UVTGFMKBPVLATL-DSOJQRAMSA-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) |
| 3β-hydroxy-5α-pregnan-20-one hemisuccinate (CHEBI:62043) is a 20-oxo steroid (CHEBI:36885) |
| 3β-hydroxy-5α-pregnan-20-one hemisuccinate (CHEBI:62043) is a dicarboxylic acid monoester (CHEBI:36244) |
| 3β-hydroxy-5α-pregnan-20-one hemisuccinate (CHEBI:62043) is a hemisuccinate (CHEBI:138979) |
| 3β-hydroxy-5α-pregnan-20-one hemisuccinate (CHEBI:62043) is a sterol ester (CHEBI:35915) |
| IUPAC Name |
|---|
| 4-oxo-4-{[(3β,5α)-20-oxopregnan-3-yl]oxy}butanoic acid |
| Synonyms | Source |
|---|---|
| 3β-hydroxy-5α-pregnan-20-one succinate | ChEBI |
| succinic acid mono-(20-oxo-5α-pregnan-3β-yl ester) | ChEBI |
| 3β-hydroxy-5α-pregnan-20-one hydrogen succinate | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:3225990 | Reaxys |
| Citations |
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