(7alpha,17beta)-17-(Acetyloxy)-7-ethenylestr-4-en-3-one

HCID 69788950
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Basic information

Standard SMILES
C=C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)[C@@H](OC(C)=O)CC[C@H]3[C@@H]21
InChIKey
BTKSQDYMHUVUOI-BUYUMELYSA-N
Molecular formula
C22H30O3
Average molar mass
342.5 g/mol

Names & identifiers

Preferred name
(7alpha,17beta)-17-(Acetyloxy)-7-ethenylestr-4-en-3-one
IUPAC
[(7S,8R,9S,10R,13S,14S,17S)-7-ethenyl-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate

Names & synonyms

SCHEMBL6464742BTKSQDYMHUVUOI-BUYUMELYSA-N(7alpha,17beta)-17-(acetyloxy)-7-ethenylestr-4-en-3-one

Database identifiers

PubChem CID
69788950

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
25

Related reactions

2 records
New reaction record

Compound notes

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