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Betamethasone Impurity 130

CAT: 1299-RM-B201530-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-B201530-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
123013-40-1
Synonyms
(8S,9R,10S,11S,13S,14S,16S,17R) -9-fluoro-11,17-dihydroxy-17- (2-methoxyacetyl) -10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one
Molecular Formula
C23H31FO5
Molecular Weight
406.49
Target Alternative Name
Betamethasone
Product Name Synonym
(8S,9R,10S,11S,13S,14S,16S,17R) -9-fluoro-11,17-dihydroxy-17- (2-methoxyacetyl) -10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one

Chemical Information

Betamethasone Impurity 130
CAS Number123013-40-1
PubChem CID14749450
IUPAC Name(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-17-(2-methoxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC23H31FO5
Molecular Weight406.5
XLogP1.7
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity820
SMILES
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC)O)C)O)F)C
InChI
InChI=1S/C23H31FO5/c1-13-9-17-16-6-5-14-10-15(25)7-8-20(14,2)22(16,24)18(26)11-21(17,3)23(13,28)19(27)12-29-4/h7-8,10,13,16-18,26,28H,5-6,9,11-12H2,1-4H3/t13-,16-,17-,18-,20-,21-,22-,23-/m0/s1
InChIKey
CNBXSWVTTSYJSE-DLCSVNPKSA-N
Chemical Structure
2D Structure
2D structure of Betamethasone Impurity 130
CAS: 123013-40-1
CID: 14749450
Formula: C23H31FO5
MW: 406.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.5
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass406.21555225
Monoisotopic Mass406.21555225
Topological Polar Surface Area83.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity820
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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