Basic information
- CAS
29944-53-4- Standard SMILES
COC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1- InChIKey
RCXPTZJNVLDKKV-UHFFFAOYSA-N- Molecular formula
- C28H48O
- Average molar mass
- 400.7 g/mol
- Monoisotopic mass
- 400.37051615
Names & identifiers
- Preferred name
- 3-Methoxycholest-5-ene
- IUPAC
- 3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
Names & synonyms
3-Methoxycholest-5-ene29944-53-4Cholest-5-ene, 3.beta.-methoxy-3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthreneCholest-5-ene, 3-methoxy-, (3.beta.)-SCHEMBL2608073DTXSID30952381NSC226868AKOS024319521NSC-2268685-CHOLESTEN-3BETA-OL METHYL ETHERCHOLEST-5-EN-3-BETA-YL METHYL ETHER
Database identifiers
- CAS
29944-53-4- PubChem CID
- 79146
- DTXSID
DTXSID30952381- EC Number
- 104-208-3
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 605
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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