| 2D Structure | |
| CID | 73467 |
| IUPAC Name | methyl (1S,4aS,7S,7aR)-7-methyl-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate |
| InChI | InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3/t6-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1 |
| InChI Key | HLXRWTJXGMHOFN-XJSNKYLASA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C17H24O10 |
| Molecular Weight | 388.4 |
| synonyms | ['Verbenalin', '548-37-8', 'Verbenaloside', 'Cornin (glycoside)', 'cornin iridoid', '71B68181Z6', 'NSC-118055', 'methyl (1S,4aS,7S,7aR)-7-methyl-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate', 'methyl (1S,4aS,7S,7aR)-7-methyl-5-oxo-1-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-4a,6,7,7a-tetrahydro-1H-cyclopenta(c)pyran-4-carboxylate', 'RefChem:193972', 'Cornin', 'C17H24O10', 'MFCD00017414', 'Methyl (1S,4aS,7S,7aR)-7-methyl-5-oxo-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate', 'methyl (1S,4aS,7S,7aR)-7-methyl-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate', 'Verbenalol, beta-D-glucopyranoside', 'Glucopyranoside, verbenalol, beta-D-', 'NSC 118055', 'NSC118055', 'Verbenalin CRS', 'DTXSID50970143', 'HLXRWTJXGMHOFN-XJSNKYLASA-N', 'UNII-71B68181Z6', 'CYCLOPENTA(C)PYRAN-4-CARBOXYLIC ACID, 1-(.BETA.-D-GLUCOPYRANOSYLOXY)-1,4A,5,6,7,7A-HEXAHYDRO-7-METHYL-5-OXO-, METHYL ESTER, (1S,4AS,7S,7AR)-', 'Cyclopenta[c]pyran-4-carboxylic acid, 1-(.beta.-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-5-oxo-, methyl ester, (1S,4aS,7S,7aR)-', 'Cornin, verbenaloside', 'Verbenalin (Standard)', 'VERBENALIN [MI]', 'MLS002473076', 'SCHEMBL306538', 'CHEBI:9954', 'Cornin, >=98% (HPLC)', 'CHEMBL1080178', 'HY-N2014R', 'HMS2198M18', 'HY-N2014', 'methyl 1-(hexopyranosyloxy)-7-methyl-5-oxo-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate', 's9301', 'AKOS015920253', 'CCG-268497', 'EBC-618485', 'LMPR0102070016', 'MV45062', 'AC-34497', 'Cyclopenta(c)pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-1-(beta-D-glucopyranosyloxy)-7-methyl-5-oxo-, methyl ester, (1S-(1-alpha,4a-alpha,7-alapha,7a-alpha))-', 'Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-5-oxo-, methyl ester, (1S-(1alpha,4aalpha,7alpha,7aalpha))-', 'DA-62463', 'Methyl (1S,4aS,7S,7aR)-1-(beta-D-glucopyranosyloxy)-7-methyl-5-oxo-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate', 'methyl (1S,4aS,7S,7aR)-7-methyl-5-oxo-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylate', 'SMR001397179', 'CS-0018334', 'C09802', 'Q18559312', 'Verbenalin, European Pharmacopoeia (EP) Reference Standard'] |
From Pubchem