Basic information
- CAS
60042-55-9- Standard SMILES
CC(CCC(=O)NC12CC3CC(CC(C3)C1)C2)C1CCC2C3CCC4CC(OC=O)CCC4(C)C3CC(OC=O)C12C- InChIKey
DGMVBXLOAYESQV-UHFFFAOYSA-N- Molecular formula
- C36H55NO5
- Average molar mass
- 581.8 g/mol
- Monoisotopic mass
- 581.40802385
Names & identifiers
- Preferred name
- 24-Oxo-24-[(tricyclo[3.3.1.1~3,7~]decan-1-yl)amino]cholane-3,12-diyl diformate
- IUPAC
- [17-[5-(1-adamantylamino)-5-oxopentan-2-yl]-12-formyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate
Names & synonyms
60042-55-9NSC289095DTXSID60314832NSC-28909524-Oxo-24-[(tricyclo[3.3.1.1~3,7~]decan-1-yl)amino]cholane-3,12-diyl diformate24-[(Adamantan-1-yl)amino]-24-oxocholane-3,12-diyl diformate
Database identifiers
- CAS
60042-55-9- PubChem CID
- 324264
- DTXSID
DTXSID60314832
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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