loading...| Preferred Name |
Algestone |
|
| Synonyms |
16alpha,17-dihydroxypregn-4-ene-3,20-dione Algestone 16alpha,17alpha-dihydroxyprogesterone Alphasone algestona algestone algestonum |
|
| Definitions |
A C21-steroid that is pregn-4-ene substituted by oxo groups at position 3 and 20 and hydroxy groups at positions 16 and 17. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_763 |
|
| charge |
0 |
|
| database_cross_reference |
Wikipedia:Algestone PMID:3139577 Reaxys:3165175 CAS:595-77-7 KEGG:C06391 Beilstein:3165175 |
|
| definition |
A C21-steroid that is pregn-4-ene substituted by oxo groups at position 3 and 20 and hydroxy groups at positions 16 and 17. |
|
| formula |
C21H30O4 |
|
| has parent hydride | ||
| has role | ||
| has_exact_synonym |
16alpha,17-dihydroxypregn-4-ene-3,20-dione Algestone |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
16alpha,17alpha-dihydroxyprogesterone Alphasone algestona algestone algestonum |
|
| has_RxCUI |
595 |
|
| id |
CHEBI:763 |
|
| in_subset | ||
| inchi |
InChI=1S/C21H30O4/c1-12(22)21(25)18(24)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1 |
|
| inchikey |
CXDWHYOBSJTRJU-SRWWVFQWSA-N |
|
| label |
Algestone algestone |
|
| mass |
346.46050 |
|
| monoisotopicmass |
346.21441 |
|
| notation |
CHEBI:763 |
|
| prefLabel |
Algestone |
|
| smiles |
[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@@H](O)[C@]1(O)C(C)=O |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_36838 http://purl.obolibrary.org/obo/CHEBI_16799 http://purl.obolibrary.org/obo/CHEBI_139592 http://purl.obolibrary.org/obo/CHEBI_36885 |