[10,13-dimethyl-17-(2-oxooxolan-3-yl)-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Basic information
- CAS
36168-12-4- Standard SMILES
CC(=O)OC1CCC2(C)C(CCC3C4=CCC(C5CCOC5=O)C4(C)CCC32)C1- InChIKey
SARLCKGNKGPYCU-UHFFFAOYSA-N- Molecular formula
- C25H36O4
- Average molar mass
- 400.5 g/mol
- Monoisotopic mass
- 400.26135963
Names & identifiers
- Preferred name
- [10,13-dimethyl-17-(2-oxooxolan-3-yl)-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
- IUPAC
- [10,13-dimethyl-17-(2-oxooxolan-3-yl)-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Names & synonyms
36168-12-4NSC143928DTXSID10957576NSC-14392817-(2-Oxooxolan-3-yl)androst-14-en-3-yl acetate
Database identifiers
- CAS
36168-12-4- PubChem CID
- 286109
- DTXSID
DTXSID10957576
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 741
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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