Desmesterol
Desmesterol structure
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Common Name | Desmesterol | ||
|---|---|---|---|---|
| CAS Number | 313-04-2 | Molecular Weight | 384.638 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 483.2±14.0 °C at 760 mmHg | |
| Molecular Formula | C27H44O | Melting Point | 121.5ºC | |
| MSDS | Chinese USA | Flash Point | 209.2±12.4 °C | |
Use of DesmesterolDesmosterol is a molecule similar to cholesterol. Desmosterol is the immediate precursor of cholesterol in the Bloch pathway of cholesterol biosynthesis. Desmosterol, as an endogenous metabolite, used to study cholesterol metabolism[1]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | desmosterol |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Desmosterol is a molecule similar to cholesterol. Desmosterol is the immediate precursor of cholesterol in the Bloch pathway of cholesterol biosynthesis. Desmosterol, as an endogenous metabolite, used to study cholesterol metabolism[1]. |
|---|---|
| Related Catalog | |
| Target |
Human Endogenous Metabolite |
| References |
[1]. Clark RM, et al. Desmosterol in human milk. Lipids. 1983;18(3):264-266. |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 483.2±14.0 °C at 760 mmHg |
| Melting Point | 121.5ºC |
| Molecular Formula | C27H44O |
| Molecular Weight | 384.638 |
| Flash Point | 209.2±12.4 °C |
| Exact Mass | 384.339203 |
| PSA | 20.23000 |
| LogP | 9.54 |
| Vapour Pressure | 0.0±2.8 mmHg at 25°C |
| Index of Refraction | 1.536 |
| InChIKey | AVSXSVCZWQODGV-DPAQBDIFSA-N |
| SMILES | CC(C)=CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C |
| Storage condition | -20°C |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| RIDADR | NONH for all modes of transport |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 4 | |
CAS#:67371-40-8
CAS#:2665-04-5dimethylsilane Structure](https://image.chemsrc.com/caspic/328/220150-72-1.png)
CAS#:220150-72-1
CAS#:66414-43-5![2-[(3β)-Cholesta-5,24-dien-3-yloxy]tetrahydro-2H-pyran Structure](https://image.chemsrc.com/caspic/381/51231-31-3.png)
CAS#:51231-31-3
CAS#:86476-29-1![(3S,8R,9S,10R,13S,14S,16R,E)-17-ethylidene-10,13-dimethyl-3-((tetrahydro-2H-pyran-2-yl)oxy)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-ol Structure](https://image.chemsrc.com/caspic/434/72777-19-6.png)
CAS#:72777-19-6![2-(((3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-pent-4-en-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)tetrahydro-2H-pyran Structure](https://image.chemsrc.com/caspic/235/72727-16-3.png)
CAS#:72727-16-3![(3S,8S,9S,10R,13S,14S,16S,17R)-10,13-dimethyl-17-((R)-pent-4-en-2-yl)-3-((tetrahydro-2H-pyran-2-yl)oxy)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-ol Structure](https://image.chemsrc.com/caspic/311/72727-14-1.png)
CAS#:72727-14-1![3β-[(tetrahydro-2H-pyran-2-yl)oxy]-16α,17α-epoxy-5-pregnen-20-one Structure](https://image.chemsrc.com/caspic/221/23821-04-7.png)
CAS#:23821-04-7
CAS#:474-63-5
CAS#:80-97-7
CAS#:2140-46-7
CAS#:77058-74-3This table lists relevant public references with title, journal and publication metadata for this compound.
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A liquid chromatography-tandem mass spectrometry-based method for the simultaneous determination of hydroxy sterols and bile acids.
J. Chromatogr. A. 1371 , 184-95, (2014) Recently, hydroxy sterols and bile acids have gained growing interest as they are important regulators of energy homoeostasis and inflammation. The high number of different hydroxy sterols and bile ac... |
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Sterol Composition in Infant Formulas and Estimated Intake.
J. Agric. Food Chem. 63 , 7245-51, (2015) Sterol contents in infant formulas (IFs) from the European market were determined, and their intakes by infants between 0 and 6 months were evaluated. Total animal sterols (mg/100 mL) ranged from 1.71... |
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Analysis of hedgehog signaling in cerebellar granule cell precursors in a conditional Nsdhl allele demonstrates an essential role for cholesterol in postnatal CNS development.
Hum. Mol. Genet. 24 , 2808-25, (2015) NSDHL is a 3β-hydroxysterol dehydrogenase that is involved in the removal of two C-4 methyl groups in one of the later steps of cholesterol biosynthesis. Mutations in the gene encoding the enzyme are ... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Cytotoxicity against human A549 cells by MTT assay
Source: ChEMBL
Target: A549
External Id: CHEMBL1025019
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Name: Cytotoxicity against human HT29 cells by MTT assay
Source: ChEMBL
Target: HT-29
External Id: CHEMBL1025020
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Name: Cytotoxicity against mouse P388 cells by MTT assay
Source: ChEMBL
Target: P388
External Id: CHEMBL1025017
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Name: Cytotoxicity against human KB cells by MTT assay
Source: ChEMBL
Target: KB
External Id: CHEMBL1025018
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Name: Agonist activity at LXRalpha (unknown origin) transfected in mouse SN4741 cells at 10...
Source: ChEMBL
Target: Oxysterols receptor LXR-alpha
External Id: CHEMBL2424161
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Name: Binding affinity to Mycobacterium tuberculosis CYP124A1 assessed as type 1 binding mo...
Source: ChEMBL
Target: N/A
External Id: CHEMBL2050041
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Name: Human Liver X receptor-alpha (1H. Liver X receptor-like receptors)
Source: IUPHAR-DB
Target: Liver X receptor-alpha (1H. Liver X receptor-like receptors) [Homo sapiens]
External Id: 602_Human
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Name: Agonist activity at LXRbeta (unknown origin) transfected in mouse SN4741 cells at 10 ...
Source: ChEMBL
Target: Oxysterols receptor LXR-beta
External Id: CHEMBL2424160
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Name: Agonist activity at LXR in mouse SN4741 cells assessed as upregulation of ABCA1 prote...
Source: ChEMBL
Target: N/A
External Id: CHEMBL2424159
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Name: Binding affinity to 2-chloro-5-nitro-N-o-tolylbenzamide-ligated recombinant human N-t...
Source: ChEMBL
Target: Nuclear receptor ROR-gamma
External Id: CHEMBL4714686
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| cholest-5,24-dien-3β-ol |
| Desmosterol |
| Cholesta-5,24-dien-3b-ol |
| Desmesterol |
| Cholesta-5,24-dien-3-β-ol |
| 3b-Cholesta-5,24-dien-3-ol |
| EINECS 206-236-2 |
| MFCD00056432 |
| 3ß-hydroxy-5,24-cholestadiene |
| Cholesta-5,24-dien-3β-ol (8CI) |
| (3β)-Cholesta-5,24-dien-3-ol |
| (3β,20R)-Cholesta-5,24-dien-3-ol |
| Cholesta-5,24-dien-3β-ol |
| 5,24-cholestadien-3β-ol |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of desmosterol? |
| A: InChIKey of desmosterol is AVSXSVCZWQODGV-DPAQBDIFSA-N. |
| Q: What are the upstream materials of desmosterol? |
| A: Related upstream materials(CAS) of desmosterol: 67371-40-8;2665-04-5;220150-72-1;66414-43-5;51231-31-3;86476-29-1;72777-19-6;72727-16-3;72727-14-1;23821-04-7. |
| Q: What are the downstream products of desmosterol? |
| A: Related downstream products(CAS) of desmosterol: 474-63-5;80-97-7;2140-46-7;77058-74-3. |
| Q: What is the SMILES notation of desmosterol? |
| A: SMILES notation of desmosterol is CC(C)=CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C. |
| Q: What is the molecular weight of desmosterol? |
| A: Molecular weight of desmosterol is 384.638. |
| Q: What is the boiling point of desmosterol? |
| A: Boiling point of desmosterol is 483.2±14.0 °C at 760 mmHg. |
| Q: What is the LogP of desmosterol? |
| A: LogP of desmosterol is 9.54. |
| Q: What is the English name of desmosterol? |
| A: The English name of desmosterol is desmosterol. |
| Q: What is the molecular formula of desmosterol? |
| A: Molecular formula of desmosterol is C27H44O. |
| Q: What English synonyms does desmosterol have? |
| A: English synonyms of desmosterol: cholest-5,24-dien-3β-ol, Desmosterol, Cholesta-5,24-dien-3b-ol, Desmesterol, Cholesta-5,24-dien-3-β-ol, 3b-Cholesta-5,24-dien-3-ol, EINECS 206-236-2, MFCD00056432, 3ß-hydroxy-5,24-cholestadiene, Cholesta-5,24-dien-3β-ol (8CI), (3β)-Cholesta-5,24-dien-3-ol, (3β,20R)-Cholesta-5,24-dien-3-ol, Cholesta-5,24-dien-3β-ol, 5,24-cholestadien-3β-ol. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |