| Record Information |
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| Version | 1.0 |
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| Creation Date | 2020-02-10 19:48:03 UTC |
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| Update Date | 2020-03-23 21:06:22 UTC |
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| BMDB ID | BMDB0063729 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Boldenone 17-sulfate |
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| Description | Boldenone sulfate belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton. Based on a literature review a small amount of articles have been published on Boldenone sulfate. |
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| Structure | |
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| Synonyms | | Value | Source |
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| Boldenone sulfuric acid | Generator | | Boldenone sulphate | Generator | | Boldenone sulphuric acid | Generator |
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| Chemical Formula | C19H26O5S |
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| Average Molecular Weight | 366.47 |
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| Monoisotopic Molecular Weight | 366.150095111 |
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| IUPAC Name | [(1S,2R,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl]oxidanesulfonic acid |
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| Traditional Name | [(1S,2R,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl]oxidanesulfonic acid |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@@]12CC[C@H](OS(O)(=O)=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/C19H26O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h7,9,11,14-17H,3-6,8,10H2,1-2H3,(H,21,22,23)/t14-,15-,16-,17-,18-,19-/m0/s1 |
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| InChI Key | GSLOLTKGVZFNKZ-DYKIIFRCSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton. |
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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 | Sulfated steroids |
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| Direct Parent | Sulfated steroids |
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| Alternative Parents | |
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| Substituents | - Sulfated steroid skeleton
- Androgen-skeleton
- Androstane-skeleton
- 3-oxo-delta-1,4-steroid
- 3-oxosteroid
- Oxosteroid
- Delta-1,4-steroid
- Sulfuric acid ester
- Alkyl sulfate
- Sulfate-ester
- Sulfuric acid monoester
- Organic sulfuric acid or derivatives
- Ketone
- Cyclic ketone
- Organic oxygen compound
- Carbonyl group
- Organooxygen compound
- Organic oxide
- Hydrocarbon derivative
- Aliphatic homopolycyclic compound
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| Molecular Framework | Aliphatic homopolycyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Status | Detected but not Quantified |
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| Origin | Not Available |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | Not Available |
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