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Home > Nitro Compounds > 64584-79-8
64584-79-8 | (17R)-17-Hydroxy-19-norpregn-4-en-20-yn-3-one O-(4-nitrophenyl)oxime
CAS No: 64584-79-8 Catalog No: AG00F78S MDL No:
Product Description
Catalog Number:
AG00F78S
Chemical Name:
(17R)-17-Hydroxy-19-norpregn-4-en-20-yn-3-one O-(4-nitrophenyl)oxime
CAS Number:
64584-79-8
IUPAC Name:
(3Z,8R,9S,10R,13S,14S)-17-ethynyl-13-methyl-3-(4-nitrophenoxy)imino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
InChI:
InChI=1S/C26H30N2O4/c1-3-26(29)15-13-24-23-10-4-17-16-18(5-11-21(17)22(23)12-14-25(24,26)2)27-32-20-8-6-19(7-9-20)28(30)31/h1,6-9,16,21-24,29H,4-5,10-15H2,2H3/b27-18-/t21-,22+,23+,24-,25-,26?/m0/s1
InChI Key:
YIROJVKNNZIKQQ-GPBVMJAWSA-N
Properties
Complexity:
874
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
1
Exact Mass:
434.221g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
434.536g/mol
Monoisotopic Mass:
434.221g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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