Cholest-5-en-3-ol (3beta)-, 3-(2-methyl-2-propen-1-yl carbonate)
Basic information
- CAS
56217-35-7- Standard SMILES
C=C(C)COC(=O)O[C@H]1CCC2(C)C(=CCC3C2CCC2(C)C(CCCCCC(C)C)CCC32)C1- InChIKey
PZKGAPKTOCKYTA-AJWYRJHHSA-N- Molecular formula
- C32H52O3
- Average molar mass
- 484.8 g/mol
- Monoisotopic mass
- 484.39164552
Names & identifiers
- Preferred name
- Cholest-5-en-3-ol (3beta)-, 3-(2-methyl-2-propen-1-yl carbonate)
- IUPAC
- [(3S)-10,13-dimethyl-17-(6-methylheptyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-methylprop-2-enyl carbonate
Names & synonyms
Cholest-5-en-3-ol (3beta)-, 2-methyl-2-propenyl carbonateCholest-5-en-3-ol (3beta)-, 3-(2-methyl-2-propen-1-yl carbonate)
Database identifiers
- CAS
56217-35-7- PubChem CID
- 92064
Properties
Computed structural properties
- XLogP
- 11.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 797
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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