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Flurandrenolone Acetate

CAT: 0931-T72279-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T72279-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2802-11-1
Target
Others
Related Pathways
Others
Bioactivity
Flurandrenolone Acetate, a synthetic glucocorticoid steroid derivative of Flurandrenolide, is utilized in researching skin disorders including eczema and psoriasis [1].
Smiles
C(COC(C)=O)(=O)[C@]12[C@]3(C)[C@@](C[C@]1(OC(C)(C)O2)[H])([C@]4([C@]([C@@H](O)C3)([C@]5(C)C([C@@H](F)C4)=CC(=O)CC5)[H])[H])[H]
Molecular Formula
C26H35FO7
Molecular Weight
478.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Flurandrenolide Acetate
CAS Number2802-11-1
PubChem CID102333
IUPAC Name[2-[(1S,2S,4R,8S,9S,11S,12S,13R,19S)-19-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-8-yl]-2-oxoethyl] acetate
Molecular FormulaC26H35FO7
Molecular Weight478.5
XLogP3
Topological Polar Surface Area99.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity974
SMILES
CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@H]4[C@H]3C[C@@H](C5=CC(=O)CC[C@]45C)F)O)C)OC(O2)(C)C
InChI
InChI=1S/C26H35FO7/c1-13(28)32-12-20(31)26-21(33-23(2,3)34-26)10-16-15-9-18(27)17-8-14(29)6-7-24(17,4)22(15)19(30)11-25(16,26)5/h8,15-16,18-19,21-22,30H,6-7,9-12H2,1-5H3/t15-,16-,18-,19-,21+,22+,24-,25-,26+/m0/s1
InChIKey
AUDPKCCPWYXNEV-XTLNBZDDSA-N
Chemical Structure
2D Structure
2D structure of Flurandrenolide Acetate
CAS: 2802-11-1
CID: 102333
Formula: C26H35FO7
MW: 478.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.5
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass478.23668161
Monoisotopic Mass478.23668161
Topological Polar Surface Area99.1 Ų
Heavy Atom Count34
Formal Charge0
Complexity974
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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