Basic information
- CAS
7377-73-3- Standard SMILES
CC(C)=CCCC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(=O)C(C)C1CC3- InChIKey
DBPZYKHQDWKORQ-UHFFFAOYSA-N- Molecular formula
- C28H44O
- Average molar mass
- 396.6 g/mol
- Monoisotopic mass
- 396.33921602
Overview
AG-G-92262 has been reported in Homo sapiens with data available.
Names & identifiers
- Preferred name
- 4-Methylcholesta-8,24-dien-3-one
- IUPAC
- 4,10,13-trimethyl-17-(6-methylhept-5-en-2-yl)-1,2,4,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- English name
- 4,10,13-trimethyl-17-(6-methylhept-5-en-2-yl)-1,2,4,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- Molecular formula
- C28H44O
- Molecular weight
- 396.65
Names & synonyms
4,10,13-trimethyl-17-(6-methylhept-5-en-2-yl)-1,2,4,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one4-Methylcholesta-8,24-dien-3-oneSCHEMBL31314506DTXSID30349636AG-G-922624alpha- Methyl-5alpha- cholesta- 8, 24- dien- 3- one4α-Methyl-5α-cholesta-8,24-dien-3-one4a-Methyl-5a-cholesta-8,24-dien-3-one4α-?Methyl-5α-?cholesta-?8,?24-?dien-?3-?oneCholesta-8,24-dien-3-one, 4-methyl-, (4α,5α)-(4S,5S,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,4,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Database identifiers
- CAS
7377-73-3- PubChem CID
- 656454
- DTXSID
DTXSID30349636
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 723
Physicochemical properties
- Boiling point
- 488.1 · 488.1±44.0 °C(Predicted)
- Density
- 0.99 · 0.99±0.1 g/cm3(Predicted)
Chemistry & industry
Applications
Uses4α-Methyl-5α-cholesta-8,24-dien-3-one is an intermediate in the formation of cholesterol from squalene.
Suppliers4 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Additional notes
DefinitionChEBI: 3-dehydro-4alpha-methylzymosterol is a 3-dehydro-4-methylzymosterol in which the methyl substituent at position 4 has alpha configuration. It is an intermediate in the biosynthesis of cholesterol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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