loading...| Preferred Name |
6-methylprednisolone |
|
| Synonyms |
11beta,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione InChIKey=VHRSUDSXCMQTMA-UWKORSIYSA-N [H][C@@]12CC(C)C3=CC(=O)C=C[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CO InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12?,14-,15-,17-,19+,20-,21-,22-/m0/s1 (11beta)-11,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione C22H30O5 |
|
| Definitions |
A 3-oxo steroid that has formula C22H30O5. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_50366 |
|
| charge |
0 |
|
| database_cross_reference |
Beilstein:7113955 |
|
| definition |
A 3-oxo steroid that has formula C22H30O5. |
|
| formula |
C22H30O5 |
|
| has exact synonym |
11beta,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione |
|
| has functional parent | ||
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
InChIKey=VHRSUDSXCMQTMA-UWKORSIYSA-N [H][C@@]12CC(C)C3=CC(=O)C=C[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CO InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12?,14-,15-,17-,19+,20-,21-,22-/m0/s1 (11beta)-11,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione C22H30O5 |
|
| id |
CHEBI:50366 |
|
| imported from | ||
| in_subset | ||
| inchi |
InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12?,14-,15-,17-,19+,20-,21-,22-/m0/s1 |
|
| inchikey |
VHRSUDSXCMQTMA-UWKORSIYSA-N |
|
| label |
6-methylprednisolone |
|
| mass |
374.47060 |
|
| monoisotopicmass |
374.20932 |
|
| notation |
CHEBI:50366 |
|
| prefLabel |
6-methylprednisolone |
|
| smiles |
CC1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_139590 http://purl.obolibrary.org/obo/CHEBI_139592 http://purl.obolibrary.org/obo/CHEBI_36885 http://purl.obolibrary.org/obo/CHEBI_47788 http://purl.obolibrary.org/obo/CHEBI_77166 http://purl.obolibrary.org/obo/CHEBI_35344 |