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Dexamethasone acetate impurity E

CAT: 0926-BAA52494-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-BAA52494-02Size:2 mg
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CAS Number
1524-94-3
Smiles
CC1CC2C3CCC4=CC (=O) CCC4 (C3 (C (CC2 (C1 (C (=O) COC (=O) C) O) C) O) F) C
Molecular Formula
C24H33FO6
Molecular Weight
436.5 g/mol
Controlled
No

Chemical Information

16alpha-Methyl-9alpha-fluorocortisol 21-acetate
CAS Number1524-94-3
PubChem CID70561973
IUPAC Name[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Molecular FormulaC24H33FO6
Molecular Weight436.5
XLogP2.6
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity868
SMILES
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)F)C
InChI
InChI=1S/C24H33FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h10,13,17-19,28,30H,5-9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1
InChIKey
MOWWOWAMHCZEEC-RPRRAYFGSA-N
Chemical Structure
2D Structure
2D structure of 16alpha-Methyl-9alpha-fluorocortisol 21-acetate
CAS: 1524-94-3
CID: 70561973
Formula: C24H33FO6
MW: 436.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.5
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass436.22611693
Monoisotopic Mass436.22611693
Topological Polar Surface Area101 Ų
Heavy Atom Count31
Formal Charge0
Complexity868
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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