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Cortisone-D2

CAT: 1299-RM-H040369-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-H040369-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2687960-86-5
Synonyms
(8S,9S,10R,13S,14S,17R) -17-hydroxy-17- (2-hydroxyacetyl) -10,13-dimethyl-1,6,7,8,9,10,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-3,11 (2H) -dione-1,2-d2
Molecular Formula
C21H26D2O5
Molecular Weight
362.46
Target Alternative Name
Cortisone
Product Name Synonym
(8S,9S,10R,13S,14S,17R) -17-hydroxy-17- (2-hydroxyacetyl) -10,13-dimethyl-1,6,7,8,9,10,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-3,11 (2H) -dione-1,2-d2

Chemical Information

Cortisone-d2
CAS Number2687960-86-5
PubChem CID91927779
IUPAC Name(8S,9S,10R,13S,14S,17R)-1,2-dideuterio-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
Molecular FormulaC21H28O5
Molecular Weight362.5
XLogP1.5
Topological Polar Surface Area91.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity724
SMILES
[2H]C1C([C@@]2([C@@H]3[C@@H](CCC2=CC1=O)[C@@H]4CC[C@@]([C@]4(CC3=O)C)(C(=O)CO)O)C)[2H]
InChI
InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1/i5D,7D/t5?,7?,14-,15-,18+,19-,20-,21-
InChIKey
MFYSYFVPBJMHGN-MIBCFMPNSA-N
Chemical Structure
2D Structure
2D structure of Cortisone-d2
CAS: 2687960-86-5
CID: 91927779
Formula: C21H28O5
MW: 362.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.5
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass362.20622748
Monoisotopic Mass362.20622748
Topological Polar Surface Area91.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity724
Isotope Atom Count2
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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