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Cortisol-9,12,12-d3

CAT: 0572-TRC-H714624-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H714624-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
115699-92-8
Synonyms
(11β)-11,17,21-Trihydroxy-pregn-4-ene-3,20-dione-d3; (11β)-11,17,21-Trihydroxypregn-4-ene-3,20-dione-9,12,12-d3; Cortisol-d3; 11β,17,21-Trihydroxypregn-4-ene-3,20-dione-d3; 17-Hydroxycorticosterone-d3; 17α-Hydroxycorticosterone-d3; NSC 10483-d3; Hydrocortisone D3 (9,12,12 D3); Cortisol D3 (9,12,12 D3)
Hazard Statement
Suspected of damaging fertility or the unborn child.
Purity
>95% (HPLC)
Smiles
[2H]C1([2H])[C@H](O)[C@@]2([2H])[C@@H](CCC3=CC(=O)CC[C@]23C)[C@@H]4CC[C@](O)(C(=O)CO)[C@@]14C
Molecular Formula
C21 D3 H27 O5
Molecular Weight
365.48
InChI
InChI=1S/C21H30O5/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/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1/i10D2,18D
Additionnal Information
IUPAC name: (8S,9S,10R,11S,13S,14S,17R)-9,12,12-trideuterio-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,11,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Cortisol-9,12,12-D3
CAS Number115699-92-8
PubChem CID102214981
IUPAC Name(8S,9S,10R,11S,13S,14S,17R)-9,12,12-trideuterio-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,11,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
Molecular FormulaC21H30O5
Molecular Weight365.5
XLogP1.6
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity684
SMILES
[2H][C@]12[C@@H](CCC3=CC(=O)CC[C@@]31C)[C@@H]4CC[C@@]([C@]4(C([C@@H]2O)([2H])[2H])C)(C(=O)CO)O
InChI
InChI=1S/C21H30O5/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/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1/i10D2,18D
InChIKey
JYGXADMDTFJGBT-GNVNMZRRSA-N
Chemical Structure
2D Structure
2D structure of Cortisol-9,12,12-D3
CAS: 115699-92-8
CID: 102214981
Formula: C21H30O5
MW: 365.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight365.5
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass365.22815429
Monoisotopic Mass365.22815429
Topological Polar Surface Area94.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity684
Isotope Atom Count3
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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Alternative Products

CatalogName
RM-H040322-01Cortisol-9,12,12-d3
sc-214763Cortisol-9,11,12,12-d4
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MBS393774-01Dodecanoic-12,12,12-D3 Acid
MBS3920470-01Dodecanoic-12,12,12-D3 acid methyl ester
MBS393801-01Dodecanoyl (12,12,12-D3)-L-Carnitine HCl Salt
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T212289-01MMP-9-IN-12

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