[(4s,4ar,7r,7ar,12bs)-7-acetylsulfanyl-3-(cyclopropylmethyl)-13-oxo-1,2,4,4a,7,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] acetate (CHEM335250)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-30 22:39:08 UTC | ||||||||
| Update Date | 2026-08-30 22:39:08 UTC | ||||||||
| Accession Number | CHEM335250 | ||||||||
| Identification | |||||||||
| Common Name | [(4s,4ar,7r,7ar,12bs)-7-acetylsulfanyl-3-(cyclopropylmethyl)-13-oxo-1,2,4,4a,7,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] acetate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C24H25NO5S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 439.145 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(=O)OC1=C2C3=C(C=C1)C(=O)C4C5C3(CCN4CC6CC6)C(O2)C(C=C5)SC(=O)C | ||||||||
| InChI Identifier | InChI=1S/C24H25NO5S/c1-12(26)29-17-7-5-15-19-22(17)30-23-18(31-13(2)27)8-6-16-20(21(15)28)25(11-14-3-4-14)10-9-24(16,19)23/h5-8,14,16,18,20,23H,3-4,9-11H2,1-2H3/t16-,18+,20-,23-,24-/m0/s1 | ||||||||
| InChI Key | JALSXEHOWOEHCB-SDAQKBEVSA-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 | |||||||||
| 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 | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
