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Fluocortolone Pivalate EP Impurity C

CAT: 1596-AR-F10354-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAS Number
79884-56-3
Synonyms
2- ((6S,8S,9S,10R,13S,14S,16R,17S) -6-fluoro-10,13,16-trimethyl-3,11-dioxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl) -2-oxoethyl pivalate
Molecular Formula
C27H35FO5
Molecular Weight
458.57
API Name
Fluocortolone

Chemical Information

Fluocortolone Pivalate EP Impurity C
CAS Number79884-56-3
PubChem CID70546176
IUPAC Name[2-[(6S,8S,9S,10R,13S,14S,16R,17S)-6-fluoro-10,13,16-trimethyl-3,11-dioxo-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate
Molecular FormulaC27H35FO5
Molecular Weight458.6
XLogP4.1
Topological Polar Surface Area77.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity971
SMILES
C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@H]3C(=O)C[C@@]2([C@H]1C(=O)COC(=O)C(C)(C)C)C)C)F
InChI
InChI=1S/C27H35FO5/c1-14-9-17-16-11-19(28)18-10-15(29)7-8-26(18,5)23(16)20(30)12-27(17,6)22(14)21(31)13-33-24(32)25(2,3)4/h7-8,10,14,16-17,19,22-23H,9,11-13H2,1-6H3/t14-,16+,17+,19+,22-,23-,26+,27+/m1/s1
InChIKey
CDDOEKYWRFEFCH-PSQDIFCMSA-N
Chemical Structure
2D Structure
2D structure of Fluocortolone Pivalate EP Impurity C
CAS: 79884-56-3
CID: 70546176
Formula: C27H35FO5
MW: 458.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.6
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass458.24685237
Monoisotopic Mass458.24685237
Topological Polar Surface Area77.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity971
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

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