2-(6-Fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetic acid

HCID 21959983
NotesReactions
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Basic information

Standard SMILES
CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1C(=O)C(=O)O
InChIKey
PUWHHWCHAVXSIG-UHFFFAOYSA-N
Molecular formula
C22H27FO5
Average molar mass
390.4 g/mol

Names & identifiers

Preferred name
2-(6-Fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetic acid
IUPAC
2-(6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetic acid

Database identifiers

PubChem CID
21959983

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
91.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
28

Related reactions

3 records
New reaction record

Compound notes

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