[(s)-(2-formyl-3,4-dimethoxyphenyl)-[(5r)-4-hydroxy-6-methyl-7,8-dihydro-5h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl] acetate (CHEM331831)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-30 18:12:45 UTC | ||||||||
| Update Date | 2026-08-30 18:12:45 UTC | ||||||||
| Accession Number | CHEM331831 | ||||||||
| Identification | |||||||||
| Common Name | [(s)-(2-formyl-3,4-dimethoxyphenyl)-[(5r)-4-hydroxy-6-methyl-7,8-dihydro-5h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl] acetate | ||||||||
| Class | Small Molecule | ||||||||
| Description | [(s)-(2-formyl-3,4-dimethoxyphenyl)-[(5r)-4-hydroxy-6-methyl-7,8-dihydro-5h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl] acetate is a chemical compound with the formula C23H25NO8. It has an average molecular weight of 443.40 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C23H25NO8 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 443.158 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | [(s)-(2-formyl-3,4-dimethoxyphenyl)-[(5r)-4-hydroxy-6-methyl-7,8-dihydro-5h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl] acetate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(=O)OC(C1C2=C(C3=C(C=C2CCN1C)OCO3)O)C4=C(C(=C(C=C4)OC)OC)C=O | ||||||||
| InChI Identifier | InChI=1S/C23H25NO8/c1-12(26)32-22(14-5-6-16(28-3)21(29-4)15(14)10-25)19-18-13(7-8-24(19)2)9-17-23(20(18)27)31-11-30-17/h5-6,9-10,19,22,27H,7-8,11H2,1-4H3/t19-,22+/m1/s1 | ||||||||
| InChI Key | XKBBRFAPWMBHPG-KNQAVFIVSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
