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Home > Nitro Compounds > 64584-52-7
64584-52-7 | (17R)-17-Hydroxy-5α-pregn-20-yn-3-one O-(p-nitrophenyl)oxime
CAS No: 64584-52-7 Catalog No: AG00F78R MDL No:
Product Description
Catalog Number:
AG00F78R
Chemical Name:
(17R)-17-Hydroxy-5α-pregn-20-yn-3-one O-(p-nitrophenyl)oxime
CAS Number:
64584-52-7
IUPAC Name:
(3Z,5S,8R,9S,10S,13S,14S)-17-ethynyl-10,13-dimethyl-3-(4-nitrophenoxy)imino-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
InChI:
InChI=1S/C27H34N2O4/c1-4-27(30)16-13-24-22-10-5-18-17-19(28-33-21-8-6-20(7-9-21)29(31)32)11-14-25(18,2)23(22)12-15-26(24,27)3/h1,6-9,18,22-24,30H,5,10-17H2,2-3H3/b28-19-/t18-,22+,23-,24-,25-,26-,27?/m0/s1
InChI Key:
SYGZOZXSXGKISC-AMAYMKKOSA-N
Properties
Complexity:
865
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
1
Exact Mass:
450.252g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
450.579g/mol
Monoisotopic Mass:
450.252g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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