| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-22 05:50:54 UTC |
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| Update Date | 2016-11-09 01:15:56 UTC |
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| Accession Number | CHEM019131 |
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| Identification |
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| Common Name | Trenbolone acetate |
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| Class | Small Molecule |
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| Description | Not Available |
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| Contaminant Sources | - ToxCast & Tox21 Chemicals
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| Finaplix | Kegg | | (10S,11S,14S,15S)-15-Methyl-5-oxotetracyclo[8.7.0.0,.0,]heptadeca-1,6,16-trien-14-yl acetic acid | Generator | | Trenbolone acetic acid | Generator | | Acetate, trenbolone | MeSH | | progro TS | MeSH | | 17 beta-Acetoxyestra-4,9,11-trien-3-one | MeSH | | Trenbolone acetate, (17beta)-isomer | MeSH | | Acetate, trienbolone | MeSH | | Trienbolone | MeSH | | Trienbolone acetate | MeSH | | progro T S | MeSH | | progro T-S | MeSH | | Trenbolone | MeSH | | (10S,11S,14S,15S)-15-Methyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1,6,16-trien-14-yl acetic acid | Generator |
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| Chemical Formula | C20H24O3 |
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| Average Molecular Mass | 312.409 g/mol |
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| Monoisotopic Mass | 312.173 g/mol |
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| CAS Registry Number | 10161-34-9 |
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| IUPAC Name | (10S,11S,14S,15S)-15-methyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1,6,16-trien-14-yl acetate |
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| Traditional Name | trenbolone acetate |
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| SMILES | [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CCC4=C3C=C[C@]12C)OC(C)=O |
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| InChI Identifier | InChI=1S/C20H24O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h9-11,17-19H,3-8H2,1-2H3/t17-,18+,19+,20+/m1/s1 |
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| InChI Key | CMRJPMODSSEAPL-FYQPLNBISA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as steroid esters. Steroid esters are compounds containing a steroid moiety which bears a carboxylic acid ester group. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Steroids and steroid derivatives |
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| Sub Class | Steroid esters |
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| Direct Parent | Steroid esters |
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| Alternative Parents | |
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| Substituents | - Steroid ester
- Estrogen-skeleton
- 3-oxosteroid
- Estrane-skeleton
- Oxosteroid
- Cyclohexenone
- Carboxylic acid ester
- Ketone
- Cyclic ketone
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Organooxygen compound
- Carbonyl group
- Aliphatic homopolycyclic compound
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| Molecular Framework | Aliphatic homopolycyclic compounds |
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| External Descriptors | Not Available |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-0096000000-354d7146ad490ff1c47d | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0uk9-0190000000-64c22e8ad057ea3ff55f | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0ktb-2950000000-f411019dcec3da4a23f6 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03xr-1069000000-f005acca1b0f81288b9e | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-02t9-3093000000-986903c1d89d6d0578ee | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0ktu-4090000000-a15141c48e57e5a8b63c | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | DBSALT001706 |
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| HMDB ID | Not Available |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Not Available |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | 66359 |
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| Kegg Compound ID | Not Available |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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