Basic information
- CAS
52884-84-1- Standard SMILES
C=CCOC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1- InChIKey
MULONECVTATJGA-GTPODGLVSA-N- Molecular formula
- C31H50O3
- Average molar mass
- 470.7 g/mol
- Monoisotopic mass
- 470.37599545
Names & identifiers
- Preferred name
- Cholest-5-en-3-ol (3beta)-, 3-(2-propen-1-yl carbonate)
- IUPAC
- [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] prop-2-enyl carbonate
Names & synonyms
Cholest-5-en-3-ol (3beta)-, 2-propenyl carbonateCholest-5-en-3-ol (3beta)-, 3-(2-propen-1-yl carbonate)52884-84-1RefChem:125654Cholest-5-en-3-ol (3.beta.)-, 3-(2-propen-1-yl carbonate)SCHEMBL790859MULONECVTATJGA-GTPODGLVSA-N
Database identifiers
- CAS
52884-84-1- PubChem CID
- 104347
- Nikkaji
- J429.197B
Properties
Computed structural properties
- XLogP
- 10.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 769
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCholest-5-en-3-ol (3.beta.)-, 3-(2-propen-1-yl carbonate): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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