Diethanolamine fusidate
2-[(3R,4S,5S,8S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid;2-(2-hydroxyethylamino)ethanol
Also Known As: Diethanolamine fusidate|CTK0H8837|EINECS 240-442-3|(2Z)-2-[(3R,4S,5S,8S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-hept-5-enoic acid; 2-(2-hydroxyethylamino)ethanol|(4alpha,8alpha,9beta,13alpha,14beta,17Z)-16beta-Acetoxy-3alpha,11alpha-dihydroxy-29-nordammara-17(20),24-dien-21-oic acid, compound with 2,2'-iminodiethanol (1:1)|29-Nor-8a,9.beta.,13.alpha.,14.beta.-dammara-17(20),24-diene-21-oic acid, 3.alpha.,11.alpha.,16.beta.-trihydroxy-, 16-acetate, compd. with 2,2'-iminodiethanol (1:1), (Z)-|29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3,11-dihydroxy-, (3.alpha.,4.alpha.,8.alpha.,9.beta.,11.alpha.,13.alpha.,14.beta.,16.beta.,17Z)-, compd. with 2,2'-iminobis[ethanol] (1:1)|29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3,11-dihydroxy-, (3.alpha.,4.alpha.,8.alpha.,9.beta.,11.alpha.,13.alpha.,14.beta.,16.beta.,17Z)-, compound with 2,2'-iminobis[ethanol] (1:1)|29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3,11-dihydroxy-, [3.alpha.,8.alpha.,9.beta.,13.alpha.,14.beta.,16.beta.,17(Z)]-, compd. with 2,2'-iminobis[ethanol] (1:1)
| Molecular Formula | C35H59NO8 |
|---|---|
| Molecular Weight | 621.4241 g/mol |
| LogP | 4.23 |
| Topological Polar Surface Area | 156.55 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 621.4241 |
| Heavy Atoms | 44 |
| Complexity | 1080.6 |
Chemical Identifiers
| CAS Number | 16391-75-6 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CC[C@]3(C([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]4[C@@]3(C[C@@H](C4=C(CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C.C(CO)NCCO |
Product Overview
Diethanolamine fusidate (CAS 16391-75-6), with molecular formula C35H59NO8 and molecular weight 621.4241 g/mol. IUPAC: 2-[(3R,4S,5S,8S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid;2-(2-hydroxyethylamino)ethanol.
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