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Methylprednisolone EP impurity E

CAT: 0926-FM165426-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FM165426-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
229019-44-7
Smiles
C[C@H]1C[C@H]2[C@@H]3CCC ([C@]3 (C[C@@H] ([C@@H]2[C@@]4 (C1=CC (=O) C=C4) C) O) C) C (=O) O
Molecular Formula
C21H28O4
Molecular Weight
344.44 g/mol
Controlled
No

Chemical Information

11beta-Hydroxy-6alpha-methyl-3-oxoandrosta-1,4-diene-17beta-carboxylic acid
CAS Number229019-44-7
PubChem CID100949813
IUPAC Name(6S,8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-6,10,13-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-17-carboxylic acid
Molecular FormulaC21H28O4
Molecular Weight344.4
XLogP3
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count25
Formal Charge0
Complexity692
SMILES
C[C@H]1C[C@H]2[C@@H]3CC[C@@H]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)C(=O)O
InChI
InChI=1S/C21H28O4/c1-11-8-13-14-4-5-15(19(24)25)21(14,3)10-17(23)18(13)20(2)7-6-12(22)9-16(11)20/h6-7,9,11,13-15,17-18,23H,4-5,8,10H2,1-3H3,(H,24,25)/t11-,13-,14-,15+,17-,18+,20-,21-/m0/s1
InChIKey
GZBRKPUEHFORFL-RSORPYMOSA-N
Chemical Structure
2D Structure
2D structure of 11beta-Hydroxy-6alpha-methyl-3-oxoandrosta-1,4-diene-17beta-carboxylic acid
CAS: 229019-44-7
CID: 100949813
Formula: C21H28O4
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass344.19875937
Monoisotopic Mass344.19875937
Topological Polar Surface Area74.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity692
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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