Corrigen

[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-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: Corrigen|Foliandrin|Neriostene|Oleandrina|Oleandrine|Folinerin|Neriolin|Neriol|Hongheloside A|OLEANDRIN|Oleandrina [Spanish]|EINECS 207-361-5|[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-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|16beta-(Acetyloxy)-3beta-((2,6-dideoxy-3-O-methyl-L-arabino-hexopyranosyl)oxy)-14-hydroxycard-20-(22)-enolide|16beta-Acetoxy-3beta-(2,6-dideoxy-3-O-methyl-L-arabino-hexopyranosyloxy)-14-hydroxycard-20(22)-enolide|Card-20(22)-enolide, 16-(acetyloxy)-3-((2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy)-14-hydroxy-, (3beta,5beta,16beta)-|Card-20(22)-enolide, 16-(acetyloxy)-3-((2,6-dideoxy-3-O-methyl-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3-beta,5-beta,16-beta)-|Card-20(22)-enolide,6-dideoxy-3-O-methyl-.alpha.-L-arabino-hexopyranosyl)oxy]-14-hydroxy-, (3.beta.,5.beta.,16.beta.)-

Molecular Formula	C32H48O9
Molecular Weight	576.32983 g/mol
LogP	2.4
Topological Polar Surface Area	121.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	6
Exact Mass	576.32983
Monoisotopic Mass	576.32983
Heavy Atoms	41
Complexity	1080.0

Chemical Identifiers

CAS Number	559-83-1
SMILES	CC1C(C(CC(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)OC)O
InChIKey	JLPDBLFIVFSOCC-UJQZKUKMSA-N