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Home > Nitro Compounds > 69081-49-8
69081-49-8 | deoxycorticosterone nitroxide
CAS No: 69081-49-8 Catalog No: AG00FND0 MDL No:
Product Description
Catalog Number:
AG00FND0
Chemical Name:
deoxycorticosterone nitroxide
CAS Number:
69081-49-8
IUPAC Name:
[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxylate
InChI:
InChI=1S/C30H43NO5/c1-27(2)16-24(28(3,4)31(27)35)26(34)36-17-25(33)23-10-9-21-20-8-7-18-15-19(32)11-13-29(18,5)22(20)12-14-30(21,23)6/h15-16,20-23,35H,7-14,17H2,1-6H3/t20-,21-,22-,23+,29-,30-/m0/s1
InChI Key:
UMNIRIWVFVQFDF-RHAVWAHXSA-N
Properties
Complexity:
1050
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
497.314g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
497.676g/mol
Monoisotopic Mass:
497.314g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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