| 2D Structure | |
| CID | 441856 |
| IUPAC Name | 3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-3-[(2R,3R,4R,5S,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one |
| InChI | InChI=1S/C36H56O14/c1-16-30(50-32-28(42)27(41)26(40)23(14-37)49-32)31(45-4)29(43)33(47-16)48-19-7-9-34(2)18(12-19)5-6-21-20(34)8-10-35(3)25(17-11-24(39)46-15-17)22(38)13-36(21,35)44/h11,16,18-23,25-33,37-38,40-44H,5-10,12-15H2,1-4H3/t16-,18-,19+,20+,21-,22+,23-,25+,26-,27+,28-,29-,30+,31-,32+,33+,34+,35-,36+/m1/s1 |
| InChI Key | CKNOLMVLQUPVMU-YMMLYESFSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C36H56O14 |
| Molecular Weight | 712.8 |
| synonyms | ['DIGITALIN', 'Glucostrospeside', 'Digitalinum verum', '752-61-4', 'Digitalinum true', 'DIGITALINUM', 'Q15ECE254B', 'Gitoxigenin 3-O-glucosyldigitaloside', '3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-3-[(2R,3R,4R,5S,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one', 'CHEBI:28143', '3beta-(4-O-beta-D-Glucopyranosyl-3-O-methyl-6-deoxy-beta-D-galactopyranosyloxy)-14,16beta-dihydroxy-5beta-card-20(22)-enolide', '3-((3S,5R,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-3-((2R,3R,4R,5S,6R)-3-hydroxy-4-methoxy-6-methyl-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta(a)phenanthren-17-yl)-2H-furan-5-one', 'RefChem:57138', '212-036-6', 'Digitalum verum', 'Diginorgin', 'Digitalin (glycoside)', 'Schmiedebergs digitalin', 'Gitoxigenin-glucodigitalosid', 'UNII-Q15ECE254B', 'CKNOLMVLQUPVMU-YMMLYESFSA-N', 'DTXSID801024550', 'EINECS 212-036-6', 'DIGITALIN [MI]', 'DIGITALINUM [HPUS]', 'DIGITALIN [MART.]', 'DIGITALIN [WHO-DD]', 'SCHEMBL310824', "SCHMIEDEBERG'S DIGITALIN", 'CHEMBL505674', 'orb2563885', 'Digitalinum verum (Glucostrospeside)', 'HY-N12799', 'CS-1050937', 'NS00042574', 'C08862', 'G89217', 'Q27103525', '(3.BETA.,5.BETA.,16.BETA.)-3-((6-DEOXY-4-O-.BETA.-D-GLUCOPYRANOSYL-3-O-METHYL-.BETA.-D-GALACTOPYRANOSYL)OXY)-14,16-DIHYDROXYCARD-20(22)-ENOLIDE', '3beta-(6-deoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-galactopyranosyloxy)-14,16beta-dihydroxy-5beta-card-20(22)-enolide'] |
From Pubchem