6-Fluoro-3,20-dioxo-9,11-epoxypregna-1,4-diene-17,21-diyl diacetate (CHEM056473)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-03-26 21:19:42 UTC | ||||||||
| Update Date | 2026-08-31 03:27:20 UTC | ||||||||
| Accession Number | CHEM056473 | ||||||||
| Identification | |||||||||
| Common Name | 6-Fluoro-3,20-dioxo-9,11-epoxypregna-1,4-diene-17,21-diyl diacetate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C25H29F1O7 | ||||||||
| Average Molecular Mass | 460.498 g/mol | ||||||||
| Monoisotopic Mass | 460.190 g/mol | ||||||||
| CAS Registry Number | 72498-89-6 | ||||||||
| IUPAC Name | [2-(14-acetyloxy-8-fluoro-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl)-2-oxoethyl] acetate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [H][C@@]12C[C@@]3(C)[C@@]([H])(CC[C@]3(OC(C)=O)C(=O)COC(C)=O)[C@]3([H])C[C@]([H])(F)C4=CC(=O)C=C[C@]4(C)C13O2 | ||||||||
| InChI Identifier | InChI=1S/C25H29FO7/c1-13(27)31-12-20(30)24(32-14(2)28)8-6-16-17-10-19(26)18-9-15(29)5-7-22(18,3)25(17)21(33-25)11-23(16,24)4/h5,7,9,16-17,19,21H,6,8,10-12H2,1-4H3/t16-,17-,19-,21+,22-,23-,24-,25?/m0/s1 | ||||||||
| InChI Key | LNYMKQGFLVFMOI-MZBFGNMYSA-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 | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
