Basic information
- CAS
62778-23-8- Standard SMILES
CCCCOCCOC(=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
LDOXGIFPIMEKOM-DYQRUOQXSA-N- Molecular formula
- C34H58O4
- Average molar mass
- 530.8 g/mol
- Monoisotopic mass
- 530.43351033
Names & identifiers
- Preferred name
- Cholest-5-en-3-ol (3beta)-, 3-(2-butoxyethyl carbonate)
- IUPAC
- 2-butoxyethyl [(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] carbonate
Names & synonyms
Cholest-5-en-3-ol (3beta)-, 2-butoxyethyl carbonateCholest-5-en-3-ol (3beta)-, 3-(2-butoxyethyl carbonate)62778-23-8RefChem:125651Cholest-5-en-3-ol (3.beta.)-, 3-(2-butoxyethyl carbonate)SCHEMBL11654482LDOXGIFPIMEKOM-DYQRUOQXSA-N
Database identifiers
- CAS
62778-23-8- PubChem CID
- 112952
- Nikkaji
- J429.490D
Properties
Computed structural properties
- XLogP
- 10.6
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 804
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCholest-5-en-3-ol (3.beta.)-, 3-(2-butoxyethyl carbonate): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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