Sengosterone

(3S,4S,5R)-5-hydroxy-4-[(3S)-3-hydroxy-3-[(2S,3R,5S,9R,10R,13R,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-6-oxo-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]butyl]-3-methyloxan-2-one

Also Known As: Sengosterone|KST-1A3235|2,3:20,22-diacetonide of 20-hydroxyecdysone|(3S,4S,5R)-5-hydroxy-4-[(3S)-3-hydroxy-3-[(2S,3R,5S,9R,10R,13R,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-6-oxo-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]butyl]-3-methyloxan-2-one|(3s,4s,5r)-5-hydroxy-4-{(3s)-3-hydroxy-3-[(2s,3r,5s,9r,10r,13r,17s)-2,3,5,14-tetrahydroxy-10,13-dimethyl-6-oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]butyl}-3-methyltetrahydro-2h-pyran-2-one(non-preferred name)|5beta,22R,24S,25S-Stigmast-7-en-26-oic acid, 2beta,3beta,5,14,20,22,28R-heptahydroxy-6-oxo-, gamma-lactone

Molecular Formula	C29H44O9
Molecular Weight	536.2985 g/mol
LogP	0.2
Topological Polar Surface Area	165.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	9
Rotatable Bonds	4
Exact Mass	536.2985
Monoisotopic Mass	536.2985
Heavy Atoms	38
Complexity	1040.0

Chemical Identifiers

CAS Number	25843-75-8
SMILES	C[C@H]1[C@@H]([C@H](COC1=O)O)CC[C@@](C)([C@H]2CCC3([C@@]2(CC[C@H]4C3=CC(=O)[C@]5([C@@]4(C[C@@H]([C@@H](C5)O)O)C)O)C)O)O
InChIKey	BVEKCPASWBGPLT-USDNQNGZSA-N