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Triamcinolone acetonide acetate

CAT: 0127-PC110931-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-PC110931-01Size:1 g
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CAS Number
3870-07-3
Purity
98%
Smiles
CC(OCC([C@]12[C@@]3([C@@]([C@@]4([H])[C@]([C@H](C3)O)([C@@]5(C(CC4)=CC(C=C5)=O)C)F)([H])C[C@@]1([H])OC(C)(O2)C)C)=O)=O

Chemical Information

Triamcinolone acetonide 21-acetate
CAS Number3870-07-3
PubChem CID15482000
IUPAC Name[2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] acetate
Molecular FormulaC26H33FO7
Molecular Weight476.5
XLogP3.1
Topological Polar Surface Area99.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity1030
SMILES
CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3CCC5=CC(=O)C=C[C@@]54C)F)O)C)OC(O2)(C)C
InChI
InChI=1S/C26H33FO7/c1-14(28)32-13-20(31)26-21(33-22(2,3)34-26)11-18-17-7-6-15-10-16(29)8-9-23(15,4)25(17,27)19(30)12-24(18,26)5/h8-10,17-19,21,30H,6-7,11-13H2,1-5H3/t17-,18-,19-,21+,23-,24-,25-,26+/m0/s1
InChIKey
VOBDXTSTTMAKHK-VHDCPBDGSA-N
Chemical Structure
2D Structure
2D structure of Triamcinolone acetonide 21-acetate
CAS: 3870-07-3
CID: 15482000
Formula: C26H33FO7
MW: 476.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.5
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass476.22103155
Monoisotopic Mass476.22103155
Topological Polar Surface Area99.1 Ų
Heavy Atom Count34
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count8
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
GTR19246683-01Triamcinolone acetonide acetate
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sc-3941329-Chloro Triamcinolone Acetonide 21-Acetate
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AR-T02911-016-alpha-Chloro-Triamcinolone-Acetonide Acetate
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