| 2D Structure | |
| CID | 11541511 |
| IUPAC Name | [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4S,5S,6S)-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 |
| InChI | InChI=1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20+,21-,22-,23+,24-,25-,27-,28-,29-,30-,31+,32-/m0/s1 |
| InChI Key | JLPDBLFIVFSOCC-XYXFTTADSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C32H48O9 |
| Molecular Weight | 576.7 |
| synonyms | ['OLEANDRIN', '465-16-7', 'Foliandrin', 'Neriolin', 'Folinerin', 'Neriostene', 'Oleandrina', 'Oleandrine', 'Neriol', 'II95UDU7I4', 'NSC-692219', '[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4S,5S,6S)-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', 'CHEBI:59030', 'Card-20(22)-enolide, 16-(acetyloxy)-3-((2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy)-14-hydroxy-, (3beta,5beta,16beta)-', 'DTXSID40861950', '(3beta,5beta,16beta)-16-acetoxy-3-[(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide', '((3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-((2R,4S,5S,6S)-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', '(3beta,5beta,16beta)-16-acetoxy-3-((2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide', 'RefChem:44190', 'DTXCID401474666', '(3 beta,16 beta)-16-(acetyloxy)-3-((2,6-dideoxy-3-O-methyl-L-arabino-hexopyranosyl)oxy)-14-hydroxy card-20(22)-enolide', '(1S,2S,5S,7R,10R,11S,13S,14R,15R)-11-hydroxy-5-((5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy)-2,15-dimethyl-14-(5-oxo-2,5-dihydrofuran-3-yl)tetracyclo(8.7.0.02,7.011,15)heptadecan-13-yl acetate', '207-361-5', 'Corrigen', 'Anvirzel', 'C32H48O9', 'PBI 05204', 'PBI-05204', '[(3S,8R,9S,10S,13R,14S,16S,17R)-14-Hydroxy-3-[(4S,5S,6S)-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', '1315607-79-4', 'Oleandrina [Spanish]', 'UNII-II95UDU7I4', 'HSDB 3518', 'EINECS 207-361-5', 'Oleandrin (Standard)', 'NSC 692219', 'OLEANDRIN [MI]', 'enanthren-16-yl acetate', 'OLEANDRIN [WHO-DD]', 'SCHEMBL25049', 'Oleandrin (PBI-05204)', 'orb1301315', 'CHEMBL4285883', 'Oleandrin, >=98% (HPLC)', 'GTPL12618', 'JLPDBLFIVFSOCC-XYXFTTADSA-N', 'GLXC-10398', 'PBI05204', 'BDBM50465465', 'HY-13719R', 'MSK162607', 's6918', 'STL565781', 'AKOS032430539', 'CS-5505', 'DB12843', 'EBC-106021', 'MO26544', '(1R,2S,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a-hydroxy-7-{[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-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', 'DA-56415', 'HY-13719', 'MS-30375', 'PBI-05204 (mixture of botanical compounds)', 'C19987', 'Q411532', 'BRD-K98006098-001-01-6', '5?\\,20(22)-Cardenolide-3?, Corrigen, Foliandrin, Folinerin, Neriol, Neriolin, Neriostene', '(3?,5?,16?)-16-(Acetyloxy)-3-[(2,6-dideoxy-3-O-methyl-?-L-arabino-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide', '(3beta,16beta)-16-(Acetyloxy)-3-((2,6-dideoxy-3-O-methyl-L-arabino-hexopyranosyl)oxy)-14-hydroxy card-20(22)-enolide', '(3beta,5beta,16beta)-16-(acetyloxy)-3-[(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide', '(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-(((2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10,13-dimethyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]ph', '[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-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', 'CARD-20(22)-ENOLIDE, 16-(ACETYLOXY)-3-((2,6-DIDEOXY-3-O-METHYL-.ALPHA.-L-ARABINO-HEXOPYRANOSYL)OXY)-14-HYDROXY-, (3.BETA.,5.BETA.,16.BETA.)-', 'Card-20(22)-enolide, 16-(acetyloxy)-3-((2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy)-14-hydroxy-, (3-beta,5-beta,16-beta)-'] |
From Pubchem