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Triamcinolone Hexacetonide

CAT: 0024-sc-472842Size: 1 gDry Ice: NoHazardous: No
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CAS Number
5611-51-8

Chemical Information

Triamcinolone Hexacetonide

Triamcinolone hexacetonide is a corticosteroid hormone.

CAS Number5611-51-8
PubChem CID21826
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] 3,3-dimethylbutanoate
Molecular FormulaC30H41FO7
Molecular Weight532.6
XLogP4.8
Topological Polar Surface Area99.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity1130
SMILES
C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)COC(=O)CC(C)(C)C)CCC5=CC(=O)C=C[C@@]53C)F)O
InChI
InChI=1S/C30H41FO7/c1-25(2,3)15-24(35)36-16-22(34)30-23(37-26(4,5)38-30)13-20-19-9-8-17-12-18(32)10-11-27(17,6)29(19,31)21(33)14-28(20,30)7/h10-12,19-21,23,33H,8-9,13-16H2,1-7H3/t19-,20-,21-,23+,27-,28-,29-,30+/m0/s1
InChIKey
TZIZWYVVGLXXFV-FLRHRWPCSA-N
Chemical Structure
2D Structure
2D structure of Triamcinolone Hexacetonide
CAS: 5611-51-8
CID: 21826
Formula: C30H41FO7
MW: 532.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight532.6
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass532.28363180
Monoisotopic Mass532.28363180
Topological Polar Surface Area99.1 Ų
Heavy Atom Count38
Formal Charge0
Complexity1130
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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