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85549-75-3 | 17-iodovinylestradiol-3-methyl ether
CAS No: 85549-75-3 Catalog No: AG00GF8V MDL No:
Product Description
Catalog Number:
AG00GF8V
Chemical Name:
17-iodovinylestradiol-3-methyl ether
CAS Number:
85549-75-3
IUPAC Name:
(8R,9S,13S,14S)-17-[(E)-2-(125I)iodanylethenyl]-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
InChI:
InChI=1S/C21H27IO2/c1-20-9-7-17-16-6-4-15(24-2)13-14(16)3-5-18(17)19(20)8-10-21(20,23)11-12-22/h4,6,11-13,17-19,23H,3,5,7-10H2,1-2H3/b12-11+/t17-,18-,19+,20+,21?/m1/s1/i22-2
InChI Key:
CNXYYKZZDGUKQL-WOFXFJSVSA-N
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
1
Exact Mass:
436.106g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
1
Molecular Weight:
436.35g/mol
Monoisotopic Mass:
436.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of two new radiolabelled estrogens: [125I](E)-3-methoxy-17alpha-iodovinylestra-1,3,5(10),6-tetraen-17beta-ol and. | Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine 20010201 |
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