3beta-Acetoxy-5alpha,6beta-dichloropregnan-20-one

HCID 70569121
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Basic information

Standard SMILES
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(C)=O)CC[C@H]4[C@@H]3C[C@@H](Cl)[C@@]2(Cl)C1
InChIKey
MCHDCPCXPLWLEJ-PWFQONRBSA-N
Molecular formula
C23H34Cl2O3
Average molar mass
429.4 g/mol

Names & identifiers

Preferred name
3beta-Acetoxy-5alpha,6beta-dichloropregnan-20-one
IUPAC
[(3S,5R,6R,8S,9S,10R,13S,14S,17S)-17-acetyl-5,6-dichloro-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate

Names & synonyms

SCHEMBL11350476MCHDCPCXPLWLEJ-PWFQONRBSA-N3beta-Acetoxy-5alpha,6beta-dichloropregnan-20-one

Database identifiers

PubChem CID
70569121

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
28

Related reactions

2 records
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Compound notes

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