Lumifusidic Acid

(2E)-2-[(3R,4S,5S,8S,9S,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

Also Known As: fusidic acid|Fusidine|Lumifusidic Acid|Fusidic acid (sodium salt)|(2E)-2-[(3R,4S,5S,8S,9S,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|(3?,?4?,?8?,?9?,?11?,?13?,?14?,?16?,?17E)?-16-?(Acetyloxy)?-?3,?11-?dihydroxy-?29-?Nordammara-?17(20)?,?24-?dien-?21-?oic Acid|29-Nordammara-17(20),24-dien-21-oic acid,16-(acetyloxy)-3,11-dihydroxy-, (3a,4a,8a,9b,11a,13a,14b,16b,17E)-|FUA

Molecular Formula	C31H48O6
Molecular Weight	516.3451 g/mol
LogP	5.6661
Topological Polar Surface Area	104.06 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	516.3451
Monoisotopic Mass	516.3451
Heavy Atoms	37
Complexity	993.6573

Chemical Identifiers

CAS Number	3482-49-3
SMILES	C[C@H]1[C@@H]2CC[C@]3([C@H]([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