Pachysandrine A

[(4R,5R,10R,13S,17S)-3-[benzoyl(methyl)amino]-17-[1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate

Also Known As: Pachysandrine A|Benzamide, N-((3-alpha,4-beta,5-alpha,20S)-4-(acetyloxy)-20-(dimethylamino)pregnan-3-yl)-N-methyl-|3-[Benzoyl(methyl)amino]-20-(dimethylamino)pregnan-4-yl acetate|[(4R,5R,10R,13S,17S)-3-[benzoyl(methyl)amino]-17-[1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate|(8xi,9xi,14xi)-20-(Dimethylamino)-3-(N-methylbenzamido)-5alpha-pregnan-4beta-yl acetate|n-[(20s)-4beta-acetoxy-20-(dimethylamino)-5alpha-pregnan-3alpha-yl]-n-methylbenzamide|((4R,5R,10R,13S,17S)-3-(benzoyl(methyl)amino)-17-(1-(dimethylamino)ethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthren-4-yl) acetate

Molecular Formula	C33H50N2O3
Molecular Weight	522.38214 g/mol
LogP	7.2
Topological Polar Surface Area	49.9 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	6
Exact Mass	522.38214
Monoisotopic Mass	522.38214
Heavy Atoms	38
Complexity	883.0

Chemical Identifiers

CAS Number	6879-28-3
SMILES	CC([C@H]1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CCC([C@@H]4OC(=O)C)N(C)C(=O)C5=CC=CC=C5)C)C)N(C)C
InChIKey	ZQUSGHWWSCAMAR-BIVHXRCOSA-N