3-(2-Propenyloxy)estra-1,3,5(10)-triene-16,17-dione 16-oxime
Basic information
- CAS
60834-45-9- Standard SMILES
C=CCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=N/O)C[C@@H]12- InChIKey
YEDFYMKASYROKP-BODGLHNHSA-N- Molecular formula
- C21H25NO3
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.18344366
Names & identifiers
- Preferred name
- 3-(2-Propenyloxy)estra-1,3,5(10)-triene-16,17-dione 16-oxime
- IUPAC
- (8R,9S,13S,14S,16E)-16-hydroxyimino-13-methyl-3-prop-2-enoxy-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
Names & synonyms
3-(2-Propenyloxy)estra-1,3,5(10)-triene-16,17-dione 16-oximeNSC82489NSC-82489(8R,9S,13S,14S,16E)-16-Hydroxyimino-13-methyl-3-prop-2-enoxy-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-oneQ27148637
Database identifiers
- CAS
60834-45-9- PubChem CID
- 9561873
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 586
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…