3-[(Acetyloxy)acetyl]-17-oxoandrostan-3-yl acetate
Basic information
- CAS
17006-74-5- Standard SMILES
CC(=O)OCC(=O)C1(OC(C)=O)CC[C@@]2(C)C(CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]32)C1- InChIKey
ZUFRJXYMPGMUGG-YYHVBKNVSA-N- Molecular formula
- C25H36O6
- Average molar mass
- 432.5 g/mol
- Monoisotopic mass
- 432.25118886
Names & identifiers
- Preferred name
- 3-[(Acetyloxy)acetyl]-17-oxoandrostan-3-yl acetate
- IUPAC
- [2-[(8R,9S,10S,13S,14S)-3-acetyloxy-10,13-dimethyl-17-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-2-oxoethyl] acetate
Names & synonyms
3-[(acetyloxy)acetyl]-17-oxoandrostan-3-yl acetateDTXSID5093773117006-74-5
Database identifiers
- CAS
17006-74-5- PubChem CID
- 28190
- DTXSID
DTXSID50937731
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 804
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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