(αR,7α)-3-Hydroxy-α-((perfluorobutyl)propyl)-17-oxo-estra-1,3,5(10)-triene-7-decanoic acid (CHEM118790)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 06:15:45 UTC | ||||||||
| Update Date | 2026-05-21 05:46:56 UTC | ||||||||
| Accession Number | CHEM118790 | ||||||||
| Identification | |||||||||
| Common Name | (αR,7α)-3-Hydroxy-α-((perfluorobutyl)propyl)-17-oxo-estra-1,3,5(10)-triene-7-decanoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C35H45F9O4 | ||||||||
| Average Molecular Mass | 700.727 g/mol | ||||||||
| Monoisotopic Mass | 700.317 g/mol | ||||||||
| CAS Registry Number | 615563-01-4 | ||||||||
| IUPAC Name | (2R)-10-[(7alpha,8xi)-3-Hydroxy-17-oxoestra-1(10),2,4-trien-7-yl]-2-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)decanoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [H]C(CCCCCCCC[C@]1([H])CC2=CC(O)=CC=C2[C@@]2([H])CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]12[H])(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(O)=O | ||||||||
| InChI Identifier | InChI=1S/C35H45F9O4/c1-31-18-16-26-25-13-12-24(45)20-23(25)19-22(29(26)27(31)14-15-28(31)46)10-7-5-3-2-4-6-9-21(30(47)48)11-8-17-32(36,37)33(38,39)34(40,41)35(42,43)44/h12-13,20-22,26-27,29,45H,2-11,14-19H2,1H3,(H,47,48)/t21-,22-,26-,27+,29-,31+/m1/s1 | ||||||||
| InChI Key | SXPDQFMOOOYJJG-IMTRHWJASA-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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| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
