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Androstane Spin Label (ASL)

CAT: 0572-TRC-A637395-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A637395-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
25521-33-9
Synonyms
(5α,17β)-17-Hydroxy-4',4'-dimethyl-spiro[androstane-3,2'-oxazolidin]-3'-yloxy; 17β-Hydroxy-4',4'-dimethyl- spiro[5α-androstane-3,2'-oxazolidin]-3'-yloxy; (3-Spiro-[2'N-oxyl-3',3'-dimethyloxazolidine])-5-α-androstane-17-β-ol; 17β-Hydroxy-4',4'-dimethylspiro-[5α-androstane-3,2'-oxazolidin]-3'-oxyl; 17β-Hydroxy-4',4'-dimethylspiro[5α-androstan-3,2'-oxazolidin]-3'-yl-oxyl; 17β-Hydroxy-5α-androstan-3-one N-Oxyl-4,4'-dimethyloxazolidine Derivative; 3-(4',4'-Dimethyloxazolidinyl-N-oxyl)-5α-androstan-17β-ol; 4',4'-Dimethylspiro[5-androstan-17β-ol-3,2'-(1',3'-oxazolidine-3-oxyl)]; ASL; NFR 612; [3-Spiro[2'H-oxyl-3',3'-dimethyloxoazolidine]]-5α-androstan-17-β-ol
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
O[C@H]1CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])CC5(OCC(C)([C])N5[O])CC[C@]4(C)[C@@]3([H])CC[C@@]21C
Molecular Formula
C23H38NO3
Molecular Weight
376.55
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-Doxylandrostanol
CAS Number25521-33-9
PubChem CID56845205
Molecular FormulaC23H38NO3
Molecular Weight376.6
XLogP4.6
Topological Polar Surface Area33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count27
Formal Charge0
Complexity623
SMILES
C[C@]12CCC3(C[C@@H]1CC[C@@H]4[C@@H]2CC[C@]5([C@H]4CC[C@@H]5O)C)N(C(CO3)(C)C)[O]
InChI
InChI=1S/C23H38NO3/c1-20(2)14-27-23(24(20)26)12-11-21(3)15(13-23)5-6-16-17-7-8-19(25)22(17,4)10-9-18(16)21/h15-19,25H,5-14H2,1-4H3/t15-,16-,17-,18-,19-,21-,22-,23?/m0/s1
InChIKey
QGVYWHYGFRJQMJ-KEDRCSRGSA-N
Chemical Structure
2D Structure
2D structure of 3-Doxylandrostanol
CAS: 25521-33-9
CID: 56845205
Formula: C23H38NO3
MW: 376.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.6
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass376.28516907
Monoisotopic Mass376.28516907
Topological Polar Surface Area33.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity623
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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