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5Alpha-Androstane-3Beta,17Beta-diol-d3

CAT: 0572-TRC-A637527-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A637527-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
79037-32-4
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
[2H]C1([2H])C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1([2H])O
Molecular Formula
C19 2H3 H29 O2
Molecular Weight
295.4
Additionnal Information
IUPAC name: (3S,5S,8R,9S,10S,13S,14S,17S)-16,16,17-trideuterio-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Androstane-3beta-17beta-diol D3
CAS Number79037-32-4
PubChem CID71313404
IUPAC Name(3S,5S,8R,9S,10S,13S,14S,17S)-16,16,17-trideuterio-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
Molecular FormulaC19H32O2
Molecular Weight295.5
XLogP4.2
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity422
SMILES
[2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)O
InChI
InChI=1S/C19H32O2/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/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17-,18-,19-/m0/s1/i6D2,17D
InChIKey
CBMYJHIOYJEBSB-QZXLVPRLSA-N
Chemical Structure
2D Structure
2D structure of Androstane-3beta-17beta-diol D3
CAS: 79037-32-4
CID: 71313404
Formula: C19H32O2
MW: 295.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight295.5
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass295.259060497
Monoisotopic Mass295.259060497
Topological Polar Surface Area40.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity422
Isotope Atom Count3
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes