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Corticosterone-d8 (Major)

CAT: 0024-sc-396031Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-396031Size:5 mg
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CAS Number
1271728-07-4

Chemical Information

(8S,9S,10R,11S,13S,14S,17S)-2,2,4,6,6,17-Hexadeuterio-17-(2,2-dideuterio-2-hydroxyacetyl)-11-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
CAS Number1271728-07-4
PubChem CID59476913
IUPAC Name(8S,9S,10R,11S,13S,14S,17S)-2,2,4,6,6,17-hexadeuterio-17-(2,2-dideuterio-2-hydroxyacetyl)-11-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
Molecular FormulaC21H30O4
Molecular Weight354.5
XLogP1.9
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity638
SMILES
[2H]C1=C2[C@](CC(C1=O)([2H])[2H])([C@H]3[C@H](C[C@]4([C@H]([C@@H]3CC2([2H])[2H])CC[C@]4([2H])C(=O)C([2H])([2H])O)C)O)C
InChI
InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1/i3D2,7D2,9D,11D2,16D
InChIKey
OMFXVFTZEKFJBZ-VWODBOJYSA-N
Chemical Structure
2D Structure
2D structure of (8S,9S,10R,11S,13S,14S,17S)-2,2,4,6,6,17-Hexadeuterio-17-(2,2-dideuterio-2-hydroxyacetyl)-11-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
CAS: 1271728-07-4
CID: 59476913
Formula: C21H30O4
MW: 354.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.5
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass354.26462340
Monoisotopic Mass354.26462340
Topological Polar Surface Area74.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity638
Isotope Atom Count8
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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