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Triamcinolone Impurity 26

CAT: 1299-RM-T180926-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T180926-02Size:25 mg
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CAS Number
131918-74-6
Synonyms
2- ((8S,9R,10S,11S,13S,16R,17S) -9-fluoro-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl) -2-oxoethyl acetate
Molecular Formula
C23H27FO7
Molecular Weight
434.46
Target Alternative Name
Triamcinolone
Product Name Synonym
2- ((8S,9R,10S,11S,13S,16R,17S) -9-fluoro-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl) -2-oxoethyl acetate

Chemical Information

(11beta,16alpha)-9-Fluoro-11,16,17-trihydroxy-3,20-dioxopregna-1,4,14-trien-21-yl acetate
CAS Number131918-74-6
PubChem CID71312973
IUPAC Name[2-[(8S,9R,10S,11S,13S,16R,17S)-9-fluoro-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,16-hexahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Molecular FormulaC23H27FO7
Molecular Weight434.5
XLogP0.5
Topological Polar Surface Area121
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity967
SMILES
CC(=O)OCC(=O)[C@]1([C@@H](C=C2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)O)O
InChI
InChI=1S/C23H27FO7/c1-12(25)31-11-19(29)23(30)17(27)9-16-15-5-4-13-8-14(26)6-7-20(13,2)22(15,24)18(28)10-21(16,23)3/h6-9,15,17-18,27-28,30H,4-5,10-11H2,1-3H3/t15-,17+,18-,20-,21-,22-,23-/m0/s1
InChIKey
LJUAAETUARKTIV-OLYHOXELSA-N
Chemical Structure
2D Structure
2D structure of (11beta,16alpha)-9-Fluoro-11,16,17-trihydroxy-3,20-dioxopregna-1,4,14-trien-21-yl acetate
CAS: 131918-74-6
CID: 71312973
Formula: C23H27FO7
MW: 434.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.5
XLogP30.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass434.17408136
Monoisotopic Mass434.17408136
Topological Polar Surface Area121 Ų
Heavy Atom Count31
Formal Charge0
Complexity967
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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