3,16-Dihydroxy-20-(3-hydroxy-5-methylpiperidin-2-yl)pregnan-4-one

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

Also Known As: Deacetylsolaphyllidine|Desacetylsolaphyllidine|KST-1A3764|(3S,5R,8R,9S,10R,13S,14S,16R,17R)-3,16-dihydroxy-17-[(1S)-1-[(2S,3S,5R)-3-hydroxy-5-methylpiperidin-2-yl]ethyl]-10,13-dimethyl-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-4-one|3,16-Dihydroxy-20-(3-hydroxy-5-methylpiperidin-2-yl)pregnan-4-one|(3|A,5|A,16|A,17|A)-3,16-dihydroxy-17-{(1s)-1-[(2s,3s,5r)-3-hydroxy-5-methylpiperidin-2-yl]ethyl}androstan-4-one|(3S,5R,8R,9S,10R,13S,14S,16R,17R)-3,16-dihydroxy-17-[(1S)-1-[(2R,3S,5R)-3-hydroxy-5-methylpiperidin-2-yl]ethyl]-10,13-dimethyl-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-4-one|16,28-Secosolanidan-4-one, 3,16,23-trihydroxy-, (3beta,5alpha,16alpha,22alpha,23beta,25beta)|5-alpha-Pregnan-4-one, 3-beta,16-alpha-dihydroxy-20-alpha-((2R,3S,5R)-3-hydroxy-5-methyl-2-piperidyl)-|(20S)-3beta,16alpha-Dihydroxy-20-[(2S,3S,5R)-3-hydroxy-5-methylpiperidin-2-yl]-5alpha-pregnan-4-one

Molecular Formula	C27H45NO4
Molecular Weight	447.33487 g/mol
LogP	4.0
Topological Polar Surface Area	89.8 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	447.33487
Monoisotopic Mass	447.33487
Heavy Atoms	32
Complexity	743.0

Chemical Identifiers

CAS Number	32003-22-8
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)O)O
InChIKey	PTLHVDMORFDUBF-BPKDJAQKSA-N