Solafilidine

[(3S,5R,8R,9S,10R,13S,14S,16R,17R)-3-hydroxy-17-[(1S)-1-[(2R,3S,5R)-3-hydroxy-5-methylpiperidin-2-yl]ethyl]-10,13-dimethyl-4-oxo-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate

Also Known As: Solafilidine|Solaphyllidin|Solaphyllidine|KST-1A3763|16-(Acetyloxy)-3-hydroxy-20-((2R,3S,5R)-3-hydroxy-5-methyl-2-piperidyl)pregna-4-one (3beta,5alpha,16alpha,20S)-|5-alpha-Pregnan-4-one, 3-beta,16-alpha-dihydroxy-20-alpha-((2R,3S,5R)-3-hydroxy-5-methyl-2-piperidyl)-, 16-acetate|(3|A,5|A,16|A,17|A)-3-hydroxy-17-{(1s)-1-[(2r,3s,5r)-3-hydroxy-5-methylpiperidin-2-yl]ethyl}-4-oxoandrostan-16-yl acetate|Pregna-4-one, 16-(acetyloxy)-3-hydroxy-20-((2R,3S,5R)-3-hydroxy-5-methyl-2-piperidyl)-, (3beta,5alpha,16alpha,20S)-|3-Hydroxy-20-(3-hydroxy-5-methylpiperidin-2-yl)-4-oxopregnan-16-yl acetate|((3S,5R,8R,9S,10R,13S,14S,16R,17R)-3-hydroxy-17-((1S)-1-((2R,3S,5R)-3-hydroxy-5-methylpiperidin-2-yl)ethyl)-10,13-dimethyl-4-oxo-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta(a)phenanthren-16-yl) acetate|[(3S,5R,8R,9S,10R,13S,14S,16R,17R)-3-hydroxy-17-[(1S)-1-[(2R,3S,5R)-3-hydroxy-5-methylpiperidin-2-yl]ethyl]-10,13-dimethyl-4-oxo-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate|3beta-Hydroxy-17-{(1S)-1-[(2R,3S,5R)-3-hydroxy-5-methylpiperidin-2-yl]ethyl}-4-oxo-5alpha-androstan-16alpha-yl acetate

Molecular Formula	C29H47NO5
Molecular Weight	489.34543 g/mol
LogP	4.6
Topological Polar Surface Area	95.9 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	489.34543
Monoisotopic Mass	489.34543
Heavy Atoms	35
Complexity	847.0

Chemical Identifiers

CAS Number	32002-78-1
SMILES	C[C@@H]1C[C@@H]([C@H](NC1)[C@@H](C)[C@H]2[C@@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5=O)O)C)C)OC(=O)C)O
InChIKey	KOJVZJIMHQWOHG-ISWQCNFUSA-N