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145624-22-2 | 17-(2-iodoethenyl)androsta-4,6-dien-17-ol-3-one
CAS No: 145624-22-2 Catalog No: AG00B3OM MDL No:
Product Description
Catalog Number:
AG00B3OM
Chemical Name:
17-(2-iodoethenyl)androsta-4,6-dien-17-ol-3-one
CAS Number:
145624-22-2
IUPAC Name:
(8R,9S,10R,13S,14S,17R)-17-hydroxy-17-[(E)-2-iodoethenyl]-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C21H27IO2/c1-19-8-5-15(23)13-14(19)3-4-16-17(19)6-9-20(2)18(16)7-10-21(20,24)11-12-22/h3-4,11-13,16-18,24H,5-10H2,1-2H3/b12-11+/t16-,17+,18+,19+,20+,21-/m1/s1
InChI Key:
BTQDHLNPKIOWIW-TWQPTUMUSA-N
Properties
Complexity:
663
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
1
Exact Mass:
438.106g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
438.349g/mol
Monoisotopic Mass:
438.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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