21-(Acetyloxy)-17-hydroxy-16b-methyl-pregna-1,4,9(11)-triene-3,20-dione

HCID 3744482

Basic information

Standard SMILES
CC(=O)OCC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3=CCC21C
InChIKey
AAPZMQVULRVUEU-UHFFFAOYSA-N
Molecular formula
C24H30O5
Average molar mass
398.5 g/mol
Monoisotopic mass
398.20932405

Names & identifiers

Preferred name
21-(Acetyloxy)-17-hydroxy-16b-methyl-pregna-1,4,9(11)-triene-3,20-dione
IUPAC
[2-(17-hydroxy-10,13,16-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate

Names & synonyms

21-(Acetyloxy)-17-hydroxy-16b-methyl-pregna-1,4,9(11)-triene-3,20-dione17-alpha,21-Dihydroxy-16-alpha-methylpregna-1,4,9(11)-triene-3,20-dione 21-acetateMFCD16876083Dexamethasone EP Impurity B Hydrochloride[2-(17-hydroxy-10,13,16-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] acetate

Database identifiers

PubChem CID
3744482

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
80.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
29

Related reactions

3 records

Compound notes

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