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Androstenedione-d3

CAT: 0926-WCA99566-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-WCA99566-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
71995-66-9
MDL Number
MFCD00199574
Smiles
CC (C) (C) OC (=O) NC1CCN (CC1) CC2=CC (=CC (=C2) OC) OC
Molecular Formula
C19H26O2
Molecular Weight
289.4 g/mol
Controlled
No

Chemical Information

4-Androstene-3,17-dione-19-d3
CAS Number71995-66-9
PubChem CID49849556
IUPAC Name(8R,9S,10R,13S,14S)-13-methyl-10-(trideuteriomethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
Molecular FormulaC19H26O2
Molecular Weight289.4
XLogP2.7
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity546
SMILES
[2H]C([2H])([2H])[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C
InChI
InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1/i1D3
InChIKey
AEMFNILZOJDQLW-IBDDNMOFSA-N
Chemical Structure
2D Structure
2D structure of 4-Androstene-3,17-dione-19-d3
CAS: 71995-66-9
CID: 49849556
Formula: C19H26O2
MW: 289.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight289.4
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass289.212110306
Monoisotopic Mass289.212110306
Topological Polar Surface Area34.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity546
Isotope Atom Count3
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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