| CAS Number | 4680-37-9 |
| Catalog Number | AG0071ZK(AGN-PC-0RUNQI) |
| Chemical Name | 3-Oxofusidic acid |
| IUPAC Name | (2Z)-2-[(4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-11-hydroxy-4,8,10,14-tetramethyl-3-oxo-1,2,4,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid |
| InChI | InChI=1S/C31H46O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-22,24-25,27,34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,24+,25-,27-,29-,30-,31-/m0/s1 |
| InChI Key | DEKASDKLVVYODQ-UKHRKFAVSA-N |
| MDL Number | MFCD00872092 |
| Molecular Formula | C31H46O6 |
| Molecular Weight | 514.6933 |
| SMILES | C[C@@]12[C@@]3([C@](C[C@H]([C@@]1([H])[C@@]4([C@@]([C@@H](C(CC4)=O)C)([H])CC2)C)O)([H])/C([C@H](C3)OC(C)=O)=C(C(O)=O)CC/C=C(C)C)C |
| Synonyms | 3-Keto Fusidic Acid,
4680-37-9,
ZINC261500656,
Z1868,
Fusidic acid EP Impurity G,
C31H46O6,
|