Basic information
- CAS
61922-29-0- Standard SMILES
CCCCC(CC)COC(=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
VVOYNPVJLBAMPC-MSRDKCBUSA-N- Molecular formula
- C36H62O3
- Average molar mass
- 542.9 g/mol
- Monoisotopic mass
- 542.46989584
Names & identifiers
- Preferred name
- Cholest-5-en-3-ol (3beta)-, 3-(2-ethylhexyl 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] 2-ethylhexyl carbonate
- English name
- 5-Cholesten-3beta-ol 3-(2'-ethylhexylcarbonate)
- Molecular formula
- C36H62O3
- Molecular weight
- 542.88
Names & synonyms
61922-29-0EINECS 263-323-8Cholest-5-en-3-ol (3beta)-, 2-ethylhexyl carbonateCholest-5-en-3-ol (3beta)-, 3-(2-ethylhexyl carbonate)RefChem:125653Cholest-5-en-3-ol (3.beta.)-, 3-(2-ethylhexyl carbonate)Cholest-5-en-3beta-yl 2-ethylhexyl carbonateSCHEMBL8997719Cholest-5-en-3-ol (3.beta.)-, 2-ethylhexyl carbonateVVOYNPVJLBAMPC-MSRDKCBUSA-NNS00055220CHOLESTERYL ETHYLHEXYLCARBONATE
Show more names
CHOLESTERYL 2-ETHYLHEXYLCARBONATECholesterol (carbonic acid 2-ethylhexyl) ester5-Cholesten-3beta-ol 3-(2'-ethylhexylcarbonate)Cholest-5-en-3-ol (3β)-, 3-(2-ethylhexyl carbonate)
Database identifiers
- CAS
61922-29-0
Properties
Computed structural properties
- XLogP
- 12.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 831
Physicochemical properties
- EPA Substance Registry System
- -5 · Cholest-5-en-3-ol (3.beta.)-, 2-ethylhexyl carbonate (61922-29-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCholest-5-en-3-ol (3.beta.)-, 3-(2-ethylhexyl carbonate): INACTIVE
Suppliers3 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
RESEARCH[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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