| 2D Structure | |
| CID | 6453770 |
| IUPAC Name | 3-[[(2R,3R,4S,5R,6S)-4-acetyloxy-6-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-3,5-dihydroxyoxan-2-yl]methoxy]benzoic acid |
| InChI | InChI=1S/C25H28O12/c1-3-15-16-7-8-32-23(31)17(16)10-34-24(15)37-25-20(28)21(35-12(2)26)19(27)18(36-25)11-33-14-6-4-5-13(9-14)22(29)30/h3-6,9-10,15-16,18-21,24-25,27-28H,1,7-8,11H2,2H3,(H,29,30)/t15-,16+,18-,19-,20-,21+,24+,25+/m1/s1 |
| InChI Key | LHLGEBVUMRLNOA-PGAAGXEPSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C25H28O12 |
| Molecular Weight | 520.5 |
| synonyms | ['Centapicrin', '59193-73-6', 'DTXSID60207932', '3-[[(2R,3R,4S,5R,6S)-4-acetyloxy-6-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-3,5-dihydroxyoxan-2-yl]methoxy]benzoic acid', "Benzoic acid, 3-hydroxy-, 2'-ester with 6-((3-O-acetyl-beta-D-glucopyranosyl)oxy)-5-ethenyl-4,4a,5,6-tetrahydro-1H,3H-pyrano(3,4-c)pyran-1-one, (4aS-(4aalpha,5beta,6alpha))-", '(2S,3R,4S,5R,6R)-2-(((3R,4R,4ar)-4-ethenyl-8-oxo-3H,4H,4ah,5H,6H,8H-pyrano(3,4-c)pyran-3-yl)oxy)-4-(acetyloxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl 3-hydroxybenzoic acid', '(2S,3R,4S,5R,6R)-2-{[(3R,4R,4ar)-4-ethenyl-8-oxo-3H,4H,4ah,5H,6H,8H-pyrano[3,4-c]pyran-3-yl]oxy}-4-(acetyloxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl 3-hydroxybenzoic acid', '3-(((2R,3R,4S,5R,6S)-4-acetyloxy-6-(((3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano(3,4-c)pyran-3-yl)oxy)-3,5-dihydroxyoxan-2-yl)methoxy)benzoic acid', 'DTXCID10130423', 'SCHEMBL29389860'] |
From Pubchem