Basic information
- CAS
74243-24-6- Standard SMILES
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4[C@@H](Br)C(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C- InChIKey
SUYDMLDXAOBPDP-OKHGOZGVSA-N- Molecular formula
- C23H31BrO6
- Average molar mass
- 483.4 g/mol
- Monoisotopic mass
- 482.1304
Names & identifiers
- Preferred name
- [2-[(4R,5S,8S,9S,10R,13S,14S,17R)-4-bromo-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
- IUPAC
- [2-[(4R,5S,8S,9S,10R,13S,14S,17R)-4-bromo-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Names & synonyms
74243-24-6NSC82866NSC-82866
Database identifiers
- CAS
74243-24-6- PubChem CID
- 256282
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 97.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 810
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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