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149046-54-8 | 17-iodovinyl-11-ethylestradiol
CAS No: 149046-54-8 Catalog No: AG00B3PW MDL No:
Product Description
Catalog Number:
AG00B3PW
Chemical Name:
17-iodovinyl-11-ethylestradiol
CAS Number:
149046-54-8
IUPAC Name:
(8S,9S,11S,13S,14S,17R)-11-ethyl-17-[(E)-2-iodoethenyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
InChI:
InChI=1S/C22H29IO2/c1-3-14-13-21(2)19(8-9-22(21,25)10-11-23)18-6-4-15-12-16(24)5-7-17(15)20(14)18/h5,7,10-12,14,18-20,24-25H,3-4,6,8-9,13H2,1-2H3/b11-10+/t14-,18-,19-,20+,21-,22+/m0/s1
InChI Key:
UYRBVLDGMNORHN-XUOOYTPCSA-N
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
1
Exact Mass:
452.121g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
452.376g/mol
Monoisotopic Mass:
452.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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