2,3,22,23-Dioxidosqualene
Basic information
- CAS
31063-19-1- Standard SMILES
C/C(=C\CC/C=C(\C)CC/C=C(\C)CCC1OC1(C)C)CC/C=C(\C)CCC1OC1(C)C- InChIKey
KABSNIWLJXCBGG-UHFFFAOYSA-N- Molecular formula
- C30H50O2
- Average molar mass
- 442.7 g/mol
- Monoisotopic mass
- 442.38108083
Names & identifiers
- Preferred name
- 2,3,22,23-Dioxidosqualene
- IUPAC
- 3-[(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-3,7,12,16-tetramethyloctadeca-3,7,11,15-tetraenyl]-2,2-dimethyloxirane
- English name
- 2,3,22,23-Dioxidosqualene (mixture of diastereomers)
- Molecular formula
- C30H50O2
- Molecular weight
- 442.72
Names & synonyms
31063-19-12,3,22,23-DioxidosqualeneSqualene 2,3,22,23-dioxideSqualene-2,3-22,23-dioxideRefChem:81155dioxidosqualeneSqualene 2,3:22,23-Dioxide3-[(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-3,7,12,16-tetramethyloctadeca-3,7,11,15-tetraenyl]-2,2-dimethyloxiraneCHEMBL2140914031-39-12,3,22,23-DIOXIDOSQUALENE (MIXTURE OF DIASTEREOMERS)2,3:22,23-Dioxidosqualene; Squalene 2,3:22,23-Diepoxide; (all-E)-2,3:22,23-Diepoxy-2,6,10,15,19,23-hexamethyl-6,10,14,18-tetracosatetraene; 2,2'-(3,7,12,16-Tetramethyl-3,7,11,15-octadecatetraene-1,18-diyl)bis[3,3-dimethyl-oxirane]
Show more names
2,2′-(3,7,12,16-Tetramethyl-3,7,11,15-octadecatetraene-1,18-diyl)bis[3,3-dimethyloxirane3,3'-(3,7,12,16-tetramethyloctadeca-3,7,11,15-tetraene-1,18-diyl)bis(2,2-dimethyloxirane)Oxirane, 2,2'-(3,7,12,16-tetramethyl-3,7,11,15-octadecatetraene-1,18-diyl)bis[3,3-dimethyl-
SCHEMBL29711785BDBM50280128G791813-[18-(3,3-dimethyl-2-oxiranyl)-3,7,12,16-tetramethyl-(3E,7E,11E,15E)-3,7,11,15-octadecatetraenyl]-2,2-dimethyloxiraneOxirane, 2,2'-(3,7,12,16-tetramethyl-3,7,11,15-octadecatetraene-1,18-diyl)bis(3,3-dimethyl-
Database identifiers
- CAS
31063-19-1- PubChem CID
- 6440985
- ChEMBL
CHEMBL21409- Nikkaji
- J1.452.574B、J375.032I
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 25.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 655
Physicochemical properties
- Boiling point
- 513 · 513.0±40.0 °C(Predicted)
- Density
- 0.917 · 0.917±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Amber Vial, -20°C Freezer
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Oil
- color
- Colourless
- Stability
- Light Sensitive
Chemistry & industry
Applications
UsesSqualene 2,3:22,23-Dioxide is formed from the epoxidation of 2,3-oxidosqualene, by squalene epoxidase. Squalene 2,3:22,23-Dioxide is accumulated intracellularly during the inhibition of cholesterol biosynthesis in Chinese hamster ovary cells.
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