| 2D Structure | |
| CID | 442318 |
| IUPAC Name | [(4aR,5R,6S,7S,8aR)-8a-ethenyl-5-hydroxy-6-(3-methoxy-3-oxoprop-1-en-2-yl)-4-methylidene-3-oxo-1,4a,5,6,7,8-hexahydroisochromen-7-yl] 2-(hydroxymethyl)prop-2-enoate |
| InChI | InChI=1S/C20H24O8/c1-6-20-7-13(28-17(23)10(2)8-21)14(11(3)18(24)26-5)16(22)15(20)12(4)19(25)27-9-20/h6,13-16,21-22H,1-4,7-9H2,5H3/t13-,14+,15+,16-,20+/m0/s1 |
| InChI Key | FZALQGCQQJLGKE-BBNZOYGDSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C20H24O8 |
| Molecular Weight | 392.4 |
| synonyms | ['Vernodalol', '65388-17-2', 'DTXSID10331796', '[(4aR,5R,6S,7S,8aR)-8a-ethenyl-5-hydroxy-6-(3-methoxy-3-oxoprop-1-en-2-yl)-4-methylidene-3-oxo-1,4a,5,6,7,8-hexahydroisochromen-7-yl] 2-(hydroxymethyl)prop-2-enoate', '((4aR,5R,6S,7S,8aR)-5-hydroxy-6-(1-methoxycarbonylvinyl)-4-methylene-3-oxo-8a-vinyl-1,4a,5,6,7,8-hexahydroisochromen-7-yl) 2-(hydroxymethyl)prop-2-enoate', '((4aR,5R,6S,7S,8aR)-8a-ethenyl-5-hydroxy-6-(3-methoxy-3-oxoprop-1-en-2-yl)-4-methylidene-3-oxo-1,4a,5,6,7,8-hexahydroisochromen-7-yl) 2-(hydroxymethyl)prop-2-enoate', '[(4aR,5R,6S,7S,8aR)-5-hydroxy-6-(1-methoxycarbonylvinyl)-4-methylene-3-oxo-8a-vinyl-1,4a,5,6,7,8-hexahydroisochromen-7-yl] 2-(hydroxymethyl)prop-2-enoate', 'DTXCID10282890', 'CHEBI:9960', 'C09577', 'AC1L9CLB', 'CHEMBL1172876', 'SCHEMBL27828019', 'ZINC04098206', 'Vernodalol, >=95% (LC/MS-ELSD)', 'Q27108534', '(4aR,5R,6S,7S,8aR)-8a-Ethenyloctahydro-5-hydroxy-7-[[2-(hydroxymethyl)-1-oxo-2-propenyl]oxy]-a,4-bis(methylene)-3-oxo-1H-2-Benzopyran-6-acetic Acid Methyl Ester;[4aR-(4aa,5a,6ss,7a,8aa)]-8a-Ethenyloctahydro-5-hydroxy-7-[[2-(hydroxymethyl)-1-oxo-2-propenyl]oxy]-a,4-bis(methylene)-3-oxo-1H-2-Benzopyran-6-acetic Acid Methyl Ester;'] |
From Pubchem