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CORTISOL-1,2-D2

CAS No.:
79037-25-5
Catalog Number:
AG00G3GZ
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00G3GZ
Chemical Name:
CORTISOL-1,2-D2
CAS Number:
79037-25-5
MDL Number:
MFCD00190408
IUPAC Name:
(8S,9S,10R,11S,13S,14S,17S)-1,2-dideuterio-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
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/i5D,7D/t5?,7?,14-,15-,16-,18+,19-,20-,21+
InChI Key:
JYGXADMDTFJGBT-ZSRARYMKSA-N
Properties
Complexity:
684  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
364.222g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
2  
Molecular Weight:
364.478g/mol
Monoisotopic Mass:
364.222g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties