21-Hydroxypregn-4-ene-3,11,20-trione 21-pivalate (CHEM075780)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 15:10:22 UTC | ||||||||
| Update Date | 2026-04-04 15:10:22 UTC | ||||||||
| Accession Number | CHEM075780 | ||||||||
| Identification | |||||||||
| Common Name | 21-Hydroxypregn-4-ene-3,11,20-trione 21-pivalate | ||||||||
| Class | Small Molecule | ||||||||
| Description | 21-Hydroxypregn-4-ene-3,11,20-trione 21-pivalate belongs to the pregnane steroids, a subclass of steroids and steroid derivatives within the organic compounds. This lipid and lipid-like molecule has the formula C26H36O5 and an average molecular weight of 428.57 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C26H36O5 | ||||||||
| Average Molecular Mass | 428.569 g/mol | ||||||||
| Monoisotopic Mass | 428.256 g/mol | ||||||||
| CAS Registry Number | 84963-41-7 | ||||||||
| IUPAC Name | [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3,11-dioxo-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C | ||||||||
| InChI Identifier | InChI=1S/C26H36O5/c1-24(2,3)23(30)31-14-21(29)19-9-8-18-17-7-6-15-12-16(27)10-11-25(15,4)22(17)20(28)13-26(18,19)5/h12,17-19,22H,6-11,13-14H2,1-5H3/t17-,18-,19-,22-,25+,26+/m0/s1 | ||||||||
| InChI Key | MFNKUOBOAMIHNU-HEDGWYKQSA-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 | ||||||||
