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130504-77-7 | cholesteryl-12-(3-iodophenyl)dodecyl ether
CAS No: 130504-77-7 Catalog No: AG00A659 MDL No:
Product Description
Catalog Number:
AG00A659
Chemical Name:
cholesteryl-12-(3-iodophenyl)dodecyl ether
CAS Number:
130504-77-7
IUPAC Name:
(3S,8S,9S,10R,13R,14S,17R)-3-[12-(3-iodophenyl)dodecoxy]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
InChI:
InChI=1S/C45H73IO/c1-34(2)18-16-19-35(3)41-25-26-42-40-24-23-37-33-39(27-29-44(37,4)43(40)28-30-45(41,42)5)47-31-15-13-11-9-7-6-8-10-12-14-20-36-21-17-22-38(46)32-36/h17,21-23,32,34-35,39-43H,6-16,18-20,24-31,33H2,1-5H3/t35-,39+,40+,41-,42+,43+,44+,45-/m1/s1
InChI Key:
UXBCHMIKTYBYTN-LQPTXBPRSA-N
Properties
Complexity:
940
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
756.471g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
756.982g/mol
Monoisotopic Mass:
756.471g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
16.7
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