| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-06-03 12:01:13 UTC |
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| Update Date | 2016-11-09 01:23:06 UTC |
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| Accession Number | CHEM044295 |
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| Identification |
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| Common Name | boldenone |
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| Class | Small Molecule |
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| Description | Boldenone is an anabolic steroid developed for veterinary use, mostly for treatment of horses. It is not indicated for use in humans in the US and is only available through veterinary clinics. |
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| Contaminant Sources | |
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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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| 1,2-Dehydrotestosterone | ChEBI | | 1,2-Didehydrotestosterone | ChEBI | | 1,4-Androstadien-17beta-ol-3-one | ChEBI | | 17beta-Boldenone | ChEBI | | 17beta-Hydroxyandrosta-1,4-dien-3-one | ChEBI | | Boldenona | ChEBI | | Boldenonum | ChEBI | | 1,4-Androstadien-17b-ol-3-one | Generator | | 1,4-Androstadien-17β-ol-3-one | Generator | | 17b-Boldenone | Generator | | 17Β-boldenone | Generator | | 17b-Hydroxyandrosta-1,4-dien-3-one | Generator | | 17Β-hydroxyandrosta-1,4-dien-3-one | Generator | | 17alpha-Boldenone | MeSH | | 17beta-Hydroxyandrosta-1,4-diene-3-one | MeSH | | Dehydrotestosterone | MeSH | | delta1-Testosterone | MeSH | | 1,4-Androstadiene-17-beta-ol-3-one | MeSH | | Dehydrotestosterone, (17alpha)-isomer | MeSH |
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| Chemical Formula | C19H26O2 |
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| Average Molecular Mass | 286.409 g/mol |
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| Monoisotopic Mass | 286.193 g/mol |
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| CAS Registry Number | 846-48-0 |
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| IUPAC Name | (1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-5-one |
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| Traditional Name | boldenone |
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| SMILES | [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |
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| InChI Identifier | InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-17,21H,3-6,8,10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 |
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| InChI Key | RSIHSRDYCUFFLA-DYKIIFRCSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans. |
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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 | Androstane steroids |
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| Direct Parent | Androgens and derivatives |
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| Alternative Parents | |
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| Substituents | - Androgen-skeleton
- 3-oxo-delta-1,4-steroid
- 3-oxosteroid
- Hydroxysteroid
- Oxosteroid
- 17-hydroxysteroid
- Delta-1,4-steroid
- Cyclic alcohol
- Ketone
- Secondary alcohol
- Cyclic ketone
- Organooxygen compound
- Alcohol
- Carbonyl group
- Organic oxygen compound
- Hydrocarbon derivative
- Organic oxide
- Aliphatic homopolycyclic compound
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| Molecular Framework | Aliphatic homopolycyclic compounds |
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| External Descriptors | |
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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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| GC-MS | GC-MS Spectrum - EI-B (Non-derivatized) | splash10-00di-0900000000-0459f76f26e50c1c052a | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-014r-0090000000-9567ca7adede879cb455 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-014r-0390000000-58aa75516cf848821f09 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00mo-2690000000-7ad17bcf3aeaf7b39f83 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0090000000-7190ed8be13d8354ffae | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-0090000000-499b9366932f33699363 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-066r-0190000000-bb973c2c5e94b43d16c3 | 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 | DB01541 |
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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 | Boldenone |
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| Chemspider ID | Not Available |
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| ChEBI ID | 34584 |
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| PubChem Compound ID | 13308 |
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| Kegg Compound ID | C14502 |
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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 | |
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