| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:19:14 UTC |
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| Update Date | 2020-04-22 15:16:32 UTC |
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| BMDB ID | BMDB0005886 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 19-Noretiocholanolone |
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| Description | 19-Noretiocholanolone, also known as 19-norandrosterone or 3-hydroxyestran-17-one, belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane. Based on a literature review a significant number of articles have been published on 19-Noretiocholanolone. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 19-Norandrosterone, (3alpha,5alpha)-isomer | MeSH | | 19-Norandrosterone, (3beta,5beta)-isomer | MeSH | | 19-Norandrosterone, (3beta,5alpha,8alpha,9beta,10alpha,13alpha,14beta)-isomer | MeSH | | 19-Norandrosterone, (3alpha,5beta)-isomer | MeSH | | 19-Norandrosterone, (3beta)-isomer | MeSH | | 19-Norandrosterone, (3beta,5alpha)-isomer | MeSH | | 2,2,3,4,4,-D5-19-Nor-5alpha-androsterone | MeSH | | 19-Norandrosterone | MeSH | | 19-Noreoiandrosterone | MeSH | | 3-Hydroxyestran-17-one | MeSH | | (3a,5b)-3-Hydroxy-estran-17-one | HMDB | | 19-Noretiocholan-3a-ol-17-one | HMDB | | 3a-Hydroxy-5b-estran-17-one | HMDB | | 5b-Estran-3a-ol-17-one | HMDB | | 19-Noretiocholanolone | MeSH |
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| Chemical Formula | C18H28O2 |
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| Average Molecular Weight | 276.4137 |
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| Monoisotopic Molecular Weight | 276.20893014 |
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| IUPAC Name | (1R,2S,5R,7R,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-one |
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| Traditional Name | (1R,2S,5R,7R,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-one |
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| CAS Registry Number | 33036-33-8 |
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| SMILES | [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12[H] |
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| InChI Identifier | InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-16,19H,2-10H2,1H3/t11-,12-,13+,14-,15-,16+,18+/m1/s1 |
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| InChI Key | UOUIARGWRPHDBX-DHMVHTBWSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane. |
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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 | Estrane steroids |
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| Direct Parent | Estrogens and derivatives |
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| Alternative Parents | |
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| Substituents | - Estrogen-skeleton
- 3-hydroxysteroid
- Hydroxysteroid
- 3-alpha-hydroxysteroid
- 17-oxosteroid
- Oxosteroid
- Cyclic alcohol
- Ketone
- Secondary alcohol
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Carbonyl group
- Alcohol
- 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 | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | - Cell membrane
- Cytoplasm
- Membrane
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| Physical Properties |
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| State | Solid |
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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 | |
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