| 2D Structure | |
| CID | 6857683 |
| IUPAC Name | (1S,3R,6S,7S,8R,11S,12S,15R,16R)-7,12,16-trimethyl-15-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid |
| InChI | InChI=1S/C36H54O10/c1-18-6-7-21(44-29(18)41)19(2)20-10-12-33(4)23-8-9-24-34(5,31(42)43)25(46-30-28(40)27(39)26(38)22(16-37)45-30)11-13-35(24)17-36(23,35)15-14-32(20,33)3/h6,19-28,30,37-40H,7-17H2,1-5H3,(H,42,43)/t19-,20+,21-,22+,23-,24-,25-,26+,27-,28+,30-,32+,33-,34-,35+,36-/m0/s1 |
| InChI Key | CJHYXUPCGHKJOO-AYOTXDKCSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C36H54O10 |
| Molecular Weight | 646.8 |
| synonyms | ['Abrusoside A', 'CHEBI:2364', '124962-06-7', '3-O-beta-D-glucopyranosyl-abrusogenin', '(22S,24Z)-3beta-(beta-D-glucopyranosyloxy)-26-oxo-22,26-epoxy-9beta,19-cyclolanost-24-en-28-oic acid', '(1S,3R,6S,7S,8R,11S,12S,15R,16R)-7,12,16-trimethyl-15-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid', '(1S,3R,6S,7S,8R,11S,12S,15R,16R)-7,12,16-trimethyl-15-((1S)-1-((2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl)-6-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxypentacyclo(9.7.0.01,3.03,8.012,16)octadecane-7-carboxylic acid', 'RefChem:108548', 'CHEMBL471718', 'orb1738346', 'SCHEMBL29375814', 'CJHYXUPCGHKJOO-AYOTXDKCSA-N', 'GLXC-25597', 'LMST01100009', 'Q27105641', '(2aR,3R,5aS,5bS,7aR,8S,9S,11aR,12aS)-2a,5a,8-Trimethyl-3-((S)-1-((S)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-9-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthrene-8-carboxylic acid'] |
From Pubchem