Ethyl hydrogen 7a-(acetylthio)-17a-hydroxy-3-oxopregn-4-ene-21,21-dicarboxylate <U+03B3>-lactone (CHEM091682)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 03:41:14 UTC | ||||||||
| Update Date | 2026-04-05 03:41:14 UTC | ||||||||
| Accession Number | CHEM091682 | ||||||||
| Identification | |||||||||
| Common Name | Ethyl hydrogen 7a-(acetylthio)-17a-hydroxy-3-oxopregn-4-ene-21,21-dicarboxylate <U+03B3>-lactone | ||||||||
| Class | Small Molecule | ||||||||
| Description | Ethyl hydrogen 7a-(acetylthio)-17a-hydroxy-3-oxopregn-4-ene-21,21-dicarboxylate | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C27H36O6S | ||||||||
| Average Molecular Mass | 488.640 g/mol | ||||||||
| Monoisotopic Mass | 488.223 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [H]C1(C[C@@]2(CC[C@@]3([H])[C@]4([H])C([H])(CC5=CC(=O)CC[C@]5(C)[C@@]4([H])CC[C@]23C)SC(C)=O)OC1=O)C(=O)OCC | ||||||||
| InChI Identifier | InChI=1/C27H36O6S/c1-5-32-23(30)18-14-27(33-24(18)31)11-8-20-22-19(7-10-26(20,27)4)25(3)9-6-17(29)12-16(25)13-21(22)34-15(2)28/h12,18-22H,5-11,13-14H2,1-4H3 | ||||||||
| InChI Key | KRLMIXGEJNGQOO-UHFFFAOYSA-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 | ||||||||
