| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 18:21:37 UTC |
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| Update Date | 2020-04-22 15:45:34 UTC |
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| BMDB ID | BMDB0011605 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 4-alpha-Methyl-5-alpha-cholest-7-en-3-beta-ol |
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| Description | 4-alpha-Methyl-5-alpha-cholest-7-en-3-beta-ol , also known as 4-methylcholest-7-en-3-ol or methostenol, belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. 4-alpha-Methyl-5-alpha-cholest-7-en-3-beta-ol is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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| Structure | |
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| Synonyms | | Value | Source |
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| 4-a-Methyl-5-a-cholest-7-en-3-b-ol | Generator | | 4-Α-methyl-5-α-cholest-7-en-3-β-ol | Generator | | 4-alpha-Methyl-5-alpha-cholest-7-en-3-beta-ol | HMDB | | 4-Methylcholest-7-en-3-ol | HMDB | | 4alpha-Methyl-5alpha-cholest-7-en-3beta-ol | HMDB | | Lophenol | HMDB | | Methostenol | HMDB | | 4-Methylcholest-7-en-3-ol, (3beta,4alpha)-isomer | HMDB |
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| Chemical Formula | C28H48O |
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| Average Molecular Weight | 400.6801 |
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| Monoisotopic Molecular Weight | 400.370516158 |
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| IUPAC Name | (1R,2S,5S,6S,7S,11R,15R)-2,6,15-trimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-5-ol |
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| Traditional Name | (1R,2S,5S,6S,7S,11R,15R)-2,6,15-trimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-5-ol |
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| CAS Registry Number | 481-25-4 |
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| SMILES | [H][C@@]12CCC([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC[C@@]2([H])[C@H](C)[C@@H](O)CC[C@]12C |
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| InChI Identifier | InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h10,18-20,22-26,29H,7-9,11-17H2,1-6H3/t19-,20+,22?,23+,24+,25+,26+,27-,28+/m1/s1 |
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| InChI Key | LMYZQUNLYGJIHI-DOQVYVCQSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. |
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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 | Cholestane steroids |
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| Direct Parent | Cholesterols and derivatives |
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| Alternative Parents | Not Available |
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| Substituents | Not Available |
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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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