3,11-Diketofusidic acid
(2Z)-6-methyl-2-[(4S,8S,9R,10S,13R,14R,16S)-4,10,14-trimethyl-3,11-dioxo-16-propanoyloxy-1,2,4,5,6,7,8,9,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]hept-5-enoic acid
Also Known As: 3,11-Diketofusidic acid|3,11-Dideoxy-3,11-dioxofusidic Acid|1-(4-hydroxybutyl)pyrimidine-2,4-dione|(2Z)-6-methyl-2-[(4S,8S,9R,10S,13R,14R,16S)-4,10,14-trimethyl-3,11-dioxo-16-propanoyloxy-1,2,4,5,6,7,8,9,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]hept-5-enoic acid|29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3,11-dioxo-, (4alpha,8alpha,9beta,13alpha,14beta,16beta,17Z)-
| Molecular Formula | C31H44O6 |
|---|---|
| Molecular Weight | 512.3138 g/mol |
| LogP | 6.0825 |
| Topological Polar Surface Area | 97.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 512.3138 |
| Monoisotopic Mass | 512.3138 |
| Heavy Atoms | 37 |
| Complexity | 1047.9165 |
Chemical Identifiers
| CAS Number | 3482-41-5 |
|---|---|
| SMILES | CCC(=O)O[C@H]\1C[C@@]2([C@H]3CCC4[C@@H](C(=O)CC[C@@]4([C@@H]3C(=O)C[C@H]2/C1=C(\CCC=C(C)C)/C(=O)O)C)C)C |
Product Overview
3,11-Diketofusidic acid (CAS 3482-41-5), with molecular formula C31H44O6 and molecular weight 512.3138 g/mol. IUPAC: (2Z)-6-methyl-2-[(4S,8S,9R,10S,13R,14R,16S)-4,10,14-trimethyl-3,11-dioxo-16-propanoyloxy-1,2,4,5,6,7,8,9,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]hept-5-enoic acid.
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