Acoschimperoside P

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

Also Known As: Neritaloside|Acoschimperoside P|16-Acetylstrospeside|Strospeside, 16-acetate|Stropeside, 7CI, 8CI)|KST-1A7075|Methyl 4'-acetyl-[1,1'-biphenyl]-3-carboxylate|[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate|Card-20(22)-enolide,(3.beta.,5.beta.,16.beta.)-|(3|A,5|A,16|A)-16-(acetyloxy)-3-[(6-deoxy-3-o-methylhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide|((3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta(a)phenanthren-16-yl) acetate|[(3S,5R,10S,13R,14S,16S)-3-[(2S,5S)-3,5-Dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenant|[(3S,5R,10S,13R,14S,16S)-3-[(2S,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate|3-beta,5-beta,16-beta-Card-20(22)-enolide, 16-(acetyloxy)-3-((6-deoxy-3-O-methyl-alpha-L-mannopyranosyl)oxy)-14-hydroxy-

Molecular Formula	C32H48O10
Molecular Weight	592.32477 g/mol
LogP	1.4
Topological Polar Surface Area	141.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	10
Rotatable Bonds	6
Exact Mass	592.32477
Monoisotopic Mass	592.32477
Heavy Atoms	42
Complexity	1110.0

Chemical Identifiers

CAS Number	64047-19-4
SMILES	CC1C(C(C(C(O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)OC(=O)C)O)C)C)O)OC)O
InChIKey	UZQOZJNEDXAJEZ-WAIGGTDDSA-N