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Testosterone-13C3

CAT: 0931-TMIR-0014-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TMIR-0014-01Size:1 mg
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CAS Number
327048-83-9
Bioactivity
Testosterone-13C3 is the 13C labeled compound of Testosterone. Testosterone has a CAS number of 58-22-0.
Smiles
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@H](O)CC4)[H])(CCC1=[13CH][13C](=O)[13CH2]C2)[H])[H]
Molecular Formula
13C3 C16H28O2
Molecular Weight
291.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Testosterone-[13C3]

See also: (17beta)-17-Hydroxyandrost-4-en-3-one-2,3,4-13C3 (annotation moved to).

CAS Number327048-83-9
PubChem CID12304601
IUPAC Name(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC19H28O2
Molecular Weight291.40
XLogP3.3
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity508
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=[13CH][13C](=O)[13CH2]C[C@]34C
InChI
InChI=1S/C19H28O2/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/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1/i7+1,11+1,13+1
InChIKey
MUMGGOZAMZWBJJ-KRMLYXHASA-N
Chemical Structure
2D Structure
2D structure of Testosterone-[13C3]
CAS: 327048-83-9
CID: 12304601
Formula: C19H28O2
MW: 291.40
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.40
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass291.21899464
Monoisotopic Mass291.21899464
Topological Polar Surface Area37.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity508
Isotope Atom Count3
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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