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CHEBI:62116 - 6β-hydroxyprogesterone hemisuccinate
| Formula | C25H34O6 |
| Net Charge | 0 |
| Average Mass | 430.541 |
| Monoisotopic Mass | 430.23554 |
| SMILES | [H][C@@]12C[C@@H](OC(=O)CCC(=O)O)C3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C(C)=O)CC[C@@]21[H] |
| InChI | InChI=1S/C25H34O6/c1-14(26)17-4-5-18-16-13-21(31-23(30)7-6-22(28)29)20-12-15(27)8-10-25(20,3)19(16)9-11-24(17,18)2/h12,16-19,21H,4-11,13H2,1-3H3,(H,28,29)/t16-,17+,18-,19-,21+,24+,25+/m0/s1 |
| InChIKey | QYQJIYPYLWZOPR-BTGMICCMSA-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) |
| 6β-hydroxyprogesterone hemisuccinate (CHEBI:62116) has functional parent 6β-hydroxyprogesterone (CHEBI:62117) |
| 6β-hydroxyprogesterone hemisuccinate (CHEBI:62116) has functional parent succinic acid (CHEBI:15741) |
| 6β-hydroxyprogesterone hemisuccinate (CHEBI:62116) is a 20-oxo steroid (CHEBI:36885) |
| 6β-hydroxyprogesterone hemisuccinate (CHEBI:62116) is a 3-oxo-Δ4 steroid (CHEBI:47909) |
| 6β-hydroxyprogesterone hemisuccinate (CHEBI:62116) is a dicarboxylic acid monoester (CHEBI:36244) |
| 6β-hydroxyprogesterone hemisuccinate (CHEBI:62116) is a hemisuccinate (CHEBI:138979) |
| 6β-hydroxyprogesterone hemisuccinate (CHEBI:62116) is a steroid ester (CHEBI:47880) |
| IUPAC Name |
|---|
| 4-{[(6β)-3,20-dioxopregn-4-en-6-yl]oxy}-4-oxobutanoic acid |
| Synonyms | Source |
|---|---|
| 6β-hydroxyprogesterone 6-(hydrogen succinate) | ChEBI |
| 6β-hydroxyhemisuccinate-progesterone | ChemIDplus |
| (6β)-6-(3-carboxy-1-oxopropoxy)pregn-4-ene-3,20-dione | ChemIDplus |
| progesterone 6-hemisuccinate | ChemIDplus |
| P4-6β-HS | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:7365845 | Reaxys |
| CAS:50909-93-8 | ChemIDplus |
| Citations |
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