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71996-13-9 | (17β)-17-(Benzoyloxy)-4-oxaandrost-5-en-3-one
CAS No: 71996-13-9 Catalog No: AG003BF2 MDL No:
Product Description
Catalog Number:
AG003BF2
Chemical Name:
(17β)-17-(Benzoyloxy)-4-oxaandrost-5-en-3-one
CAS Number:
71996-13-9
IUPAC Name:
[(1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]chromen-1-yl] benzoate
InChI:
InChI=1S/C25H30O4/c1-24-14-12-19-17(8-10-20-25(19,2)15-13-22(26)28-20)18(24)9-11-21(24)29-23(27)16-6-4-3-5-7-16/h3-7,10,17-19,21H,8-9,11-15H2,1-2H3/t17-,18-,19-,21-,24-,25+/m0/s1
InChI Key:
ITVCSVFIMJJFFZ-ROECFKKCSA-N
Properties
Complexity:
720
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
394.214g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.511g/mol
Monoisotopic Mass:
394.214g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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