Basic information
- CAS
18198-85-1- Standard SMILES
CC1C(=O)C2C(CCC3=CC(=O)CCC32C)C2CCC(C(C)(C)OCCO)C12C- InChIKey
XGGZBVJMRNOSLF-UHFFFAOYSA-N- Molecular formula
- C25H38O4
- Average molar mass
- 402.6 g/mol
- Monoisotopic mass
- 402.27700969
Names & identifiers
- Preferred name
- 20-(2-Hydroxyethoxy)-12,20-dimethylpregn-4-ene-3,11-dione
- IUPAC
- 17-[2-(2-hydroxyethoxy)propan-2-yl]-10,12,13-trimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
Names & synonyms
18198-85-120-(2-hydroxyethoxy)-12,20-dimethylpregn-4-ene-3,11-dioneNSC101244DTXSID10939514NSC-101244
Database identifiers
- CAS
18198-85-1- PubChem CID
- 265334
- DTXSID
DTXSID10939514
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 737
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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