Basic information
- CAS
4147-11-9- Standard SMILES
CC(=O)O[C@]12C=CC(=O)C=C1CCC1C3CC[C@H](O)C3(C)CCC12- InChIKey
NJDXYOQKHWTDHN-VVTOXQCRSA-N- Molecular formula
- C20H26O4
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.18310931
Names & identifiers
- Preferred name
- 17-Hydroxy-3-oxoestra-1,4-dien-10-yl acetate
- IUPAC
- [(10S,17S)-17-hydroxy-13-methyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-10-yl] acetate
Names & synonyms
17-Hydroxy-3-oxoestra-1,4-dien-10-yl acetateDTXSID909617374147-11-9(8xi,9xi,13xi,14xi)-17beta-Hydroxy-3-oxoestra-1,4-dien-10-yl acetate
Database identifiers
- CAS
4147-11-9- PubChem CID
- 20103
- DTXSID
DTXSID90961737
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 648
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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