2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethyl N-butylcarbamate
Basic information
- CAS
5153-85-5- Standard SMILES
CCCCNC(=O)OCCOC1CCC2(C)C(CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1- InChIKey
FCRVSZSJBMZCOV-UHFFFAOYSA-N- Molecular formula
- C34H61NO3
- Average molar mass
- 531.9 g/mol
- Monoisotopic mass
- 531.46514481
Names & identifiers
- Preferred name
- 2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethyl N-butylcarbamate
- IUPAC
- 2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethyl N-butylcarbamate
Names & synonyms
5153-85-5NSC138955DTXSID90965856NSC-1389552-[(Cholestan-3-yl)oxy]ethyl hydrogen butylcarbonimidate
Database identifiers
- CAS
5153-85-5- PubChem CID
- 283758
- DTXSID
DTXSID90965856
Properties
Computed structural properties
- XLogP
- 10.9
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 754
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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