(11beta,16beta)-21-(Acetyloxy)-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl ethylcarbamate

HCID 58613239
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Basic information

Standard SMILES
CCNC(=O)O[C@]1(C(=O)COC(C)=O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
InChIKey
PIKBNBBXIICARO-JLWJLQCMSA-N
Molecular formula
C27H36FNO7
Average molar mass
505.6 g/mol

Names & identifiers

Preferred name
(11beta,16beta)-21-(Acetyloxy)-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl ethylcarbamate
IUPAC
[2-[(8S,9R,10S,11S,13S,14S,16S,17R)-17-(ethylcarbamoyloxy)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

Names & synonyms

SCHEMBL3617268PIKBNBBXIICARO-JLWJLQCMSA-N(11beta,16beta)-21-(acetyloxy)-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl ethylcarbamate

Database identifiers

PubChem CID
58613239

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
119 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
36

Related reactions

1 records
New reaction record

Compound notes

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