(17α)-3,3-[1,2-Ethanediylbis(oxy)]-17-hydroxyandrosta-4,9(11)-diene-17-carbonitrile (CHEM056401)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-03-26 20:42:42 UTC | ||||||||
| Update Date | 2026-03-26 20:42:42 UTC | ||||||||
| Accession Number | CHEM056401 | ||||||||
| Identification | |||||||||
| Common Name | (17α)-3,3-[1,2-Ethanediylbis(oxy)]-17-hydroxyandrosta-4,9(11)-diene-17-carbonitrile | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C22H29N1O3 | ||||||||
| Average Molecular Mass | 355.478 g/mol | ||||||||
| Monoisotopic Mass | 355.215 g/mol | ||||||||
| CAS Registry Number | 114882-16-5 | ||||||||
| IUPAC Name | (1R,3aS,3bS,9aS,11aS)-1-Hydroxy-9a,11a-dimethyl-1,2,3,3a,3b,4,5,8,9,9a,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-7,2'-[1,3]dioxolane]-1-carbonitrile | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C[C@]12CC=C3[C@@H](CCC4=CC5(CC[C@]34C)OCCO5)[C@@H]1CC[C@]2(O)C#N | ||||||||
| InChI Identifier | InChI=1S/C22H29NO3/c1-19-9-10-22(25-11-12-26-22)13-15(19)3-4-16-17(19)5-7-20(2)18(16)6-8-21(20,24)14-23/h5,13,16,18,24H,3-4,6-12H2,1-2H3/t16-,18+,19+,20+,21+/m1/s1 | ||||||||
| InChI Key | INEGZDWEXLBMCA-GVVDHYSOSA-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 | ||||||||
