| 2D Structure | |
| CID | 14136859 |
| IUPAC Name | methyl (4S,5E,6S)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate |
| InChI | InChI=1S/C25H32O12/c1-3-15-16(10-19(28)34-9-8-13-4-6-14(27)7-5-13)17(23(32)33-2)12-35-24(15)37-25-22(31)21(30)20(29)18(11-26)36-25/h3-7,12,16,18,20-22,24-27,29-31H,8-11H2,1-2H3/b15-3+/t16-,18+,20+,21-,22+,24-,25-/m0/s1 |
| InChI Key | GMQXOLRKJQWPNB-MVVLSVRYSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C25H32O12 |
| Molecular Weight | 524.5 |
| synonyms | ['Ligustroside', 'ligstroside', '35897-92-8', 'Ligusroside', '83S9SA69C5', 'CHEBI:149585', 'DTXSID701318124', 'methyl (4S,5E,6S)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate', 'methyl (2S,3E,4S)-3-ethylidene-2-(beta-D-glucopyranosyloxy)-4-(2-(2-(4-hydroxyphenyl)ethoxy)-2-oxoethyl)-3,4-dihydro-2H-pyran-5-carboxylate', 'methyl (2S,3E,4S)-3-ethylidene-2-(beta-D-glucopyranosyloxy)-4-{2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl}-3,4-dihydro-2H-pyran-5-carboxylate', 'methyl (2S,3E,4S)-3-ethylidene-4-(2-(2-(4-hydroxyphenyl)ethoxy)-2-oxoethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-3,4-dihydro-2H-pyran-5-carboxylate', 'methyl (2S,3E,4S)-3-ethylidene-4-{2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl}-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate', 'methyl (4S,5E,6S)-5-ethylidene-4-(2-(2-(4-hydroxyphenyl)ethoxy)-2-oxoethyl)-6-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-4H-pyran-3-carboxylate', 'DTXCID701747913', '2H-PYRAN-4-ACETIC ACID, 3-ETHYLIDENE-2-(BETA-D-GLUCOPYRANOSYLOXY)-3,4-DIHYDRO-5-(METHOXYCARBONYL)-, 2-(4-HYDROXYPHENYL)ETHYL ESTER, (2S,3E,4S)-', 'UNII-83S9SA69C5', '(-)-ligstroside', 'MEGxp0_000487', 'orb1684455', 'CHEMBL1086877', 'SCHEMBL29420011', 'ACon1_000577', 'HY-N3383', 'AKOS040760521', 'NCGC00168945-01', 'FL157864', 'MS-29709', 'CS-0024058', 'NS00093976', 'BRD-K49137267-001-01-4', 'Q27269447', '2H-PYRAN-4-ACETIC ACID, 3-ETHYLIDENE-2-(.BETA.-D-GLUCOPYRANOSYLOXY)-3,4-DIHYDRO-5-(METHOXYCARBONYL)-, 2-(4-HYDROXYPHENYL)ETHYL ESTER, (2S,3E,4S)-'] |
From Pubchem