Basic information
- CAS
85179-02-8- Standard SMILES
CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)C(N)=O)CCC32)C1- InChIKey
SPJJQKMRGHDHDW-UHFFFAOYSA-N- Molecular formula
- C24H37NO3
- Average molar mass
- 387.6 g/mol
- Monoisotopic mass
- 387.27734404
Names & identifiers
- Preferred name
- [17-(1-amino-1-oxopropan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
- IUPAC
- [17-(1-amino-1-oxopropan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Names & synonyms
85179-02-8NSC226870[17-(1-amino-1-oxopropan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetateDTXSID30310402NSC231795NSC-226870NSC-2317951-(1-Amino-1-oxopropan-2-yl)-9a,11a-dimethyl-2,3,3a,3b,4,6,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl acetate
Database identifiers
- CAS
85179-02-8- PubChem CID
- 313254
- DTXSID
DTXSID30310402
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 700
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…