Phenyl n-[(7s)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5h-benzo[a]heptalen-7-yl]carbamate (CHEM342369)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 09:56:17 UTC | ||||||||
| Update Date | 2026-08-31 09:56:17 UTC | ||||||||
| Accession Number | CHEM342369 | ||||||||
| Identification | |||||||||
| Common Name | Phenyl n-[(7s)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5h-benzo[a]heptalen-7-yl]carbamate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Phenyl n-[(7s)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5h-benzo[a]heptalen-7-yl]carbamate is a chemical compound with the formula C27H27NO6S. It has an average molecular weight of 493.60 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C27H27NO6S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 493.156 g/mol | ||||||||
| CAS Registry Number | 96737-27-8 | ||||||||
| IUPAC Name | Phenyl n-[(7s)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5h-benzo[a]heptalen-7-yl]carbamate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)OC4=CC=CC=C4)OC)OC | ||||||||
| InChI Identifier | InChI=1S/C27H27NO6S/c1-31-22-14-16-10-12-20(28-27(30)34-17-8-6-5-7-9-17)19-15-21(29)23(35-4)13-11-18(19)24(16)26(33-3)25(22)32-2/h5-9,11,13-15,20H,10,12H2,1-4H3,(H,28,30)/t20-/m0/s1 | ||||||||
| InChI Key | DDTYQLGFZVIGEK-FQEVSTJZSA-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 | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
