loading...| Preferred Name |
Acetoxolone |
|
| Synonyms |
Acetylglycyrrhetinic acid acetylglycyrrhetic acid glycyrrhetic acid acetate glycyrrhetinyl acetate glycyrrhetinic acid acetate |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_81306 |
|
| alternative term |
Acetylglycyrrhetinic acid acetylglycyrrhetic acid glycyrrhetic acid acetate glycyrrhetinyl acetate glycyrrhetinic acid acetate |
|
| charge |
0 |
|
| database_cross_reference |
Drug_Central:62 CAS:6277-14-1 KEGG:C17734 |
|
| formula |
C32H48O5 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Acetylglycyrrhetinic acid acetylglycyrrhetic acid glycyrrhetic acid acetate glycyrrhetinyl acetate glycyrrhetinic acid acetate |
|
| id |
CHEBI:81306 |
|
| in_subset | ||
| inchi |
InChI=1S/C32H48O5/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1 |
|
| inchikey |
FTQDJVZNPJRVPG-XWEVEMRCSA-N |
|
| label |
Acetoxolone |
|
| mass |
512.72050 |
|
| monoisotopicmass |
512.35017 |
|
| notation |
CHEBI:81306 |
|
| prefLabel |
Acetoxolone |
|
| smiles |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C |
|
| subClassOf |