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?14-Triamcinolone acetonide

CAT: 0127-PC1008089-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1008089-01Size:5 mg
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CAS Number
1260149-96-9
MDL Number
MFCD28359067
Purity
98%
Smiles
OCC([C@]12[C@@]3(C([C@@]4([H])[C@]([C@H](C3)O)([C@@]5(C(CC4)=CC(C=C5)=O)C)F)=C[C@@]1([H])OC(C)(O2)C)C)=O

Chemical Information

delta14-Triamcinolone acetonide
CAS Number1260149-96-9
PubChem CID29976839
IUPAC Name(1S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-2,14,17-trien-16-one
Molecular FormulaC24H29FO6
Molecular Weight432.5
XLogP0.9
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count31
Formal Charge0
Complexity981
SMILES
C[C@]12C[C@@H]([C@]3([C@H](C1=C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@@]53C)F)O
InChI
InChI=1S/C24H29FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-10,15,17,19,26,28H,5-6,11-12H2,1-4H3/t15-,17-,19+,21-,22-,23-,24+/m0/s1
InChIKey
ZIASJPXEBODFKN-VZFRDGCYSA-N
Chemical Structure
2D Structure
2D structure of delta14-Triamcinolone acetonide
CAS: 1260149-96-9
CID: 29976839
Formula: C24H29FO6
MW: 432.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.5
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass432.19481680
Monoisotopic Mass432.19481680
Topological Polar Surface Area93.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity981
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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Alternative Products

CatalogName
HY-Z8648-01Δ14-Triamcinolone acetonide
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