Basic information
- CAS
18016-42-7- Standard SMILES
COCCOCCOC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1- InChIKey
APYWAVOIAJEUHM-UHFFFAOYSA-N- Molecular formula
- C33H56O5
- Average molar mass
- 532.8 g/mol
- Monoisotopic mass
- 532.41277488
Names & identifiers
- Preferred name
- Cholest-5-en-3-ol (3beta)-, 3-(2-(2-methoxyethoxy)ethyl carbonate)
- IUPAC
- [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-(2-methoxyethoxy)ethyl carbonate
Names & synonyms
18016-42-7Cholest-5-en-3-ol (3beta)-, 2-(2-methoxyethoxy)ethyl carbonateCholest-5-en-3-ol (3beta)-, 3-(2-(2-methoxyethoxy)ethyl carbonate)Cholest-5-en-3-ol (3beta)-, 3-[2-(2-methoxyethoxy)ethyl carbonate]RefChem:576032Cholest-5-en-3-ol (3.beta.)-, 3-[2-(2-methoxyethoxy)ethyl carbonate]APYWAVOIAJEUHM-UHFFFAOYSA-Ncholest-5-en-3-yl 2-(2-methoxyethoxy)ethyl carbonate[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-(2-methoxyethoxy)ethyl carbonateDTXSID20939303Carbonic acid cholest-5-en-3beta-yl=2-(2-methoxyethoxy)ethyl esterCholest-5-en-3-ol (3.beta.)-, 2-(2-methoxyethoxy)ethyl carbonate
Database identifiers
- CAS
18016-42-7- PubChem CID
- 86647
- DTXSID
DTXSID20939303
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 807
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCholest-5-en-3-ol (3.beta.)-, 3-[2-(2-methoxyethoxy)ethyl carbonate]: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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