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130504-76-6 | cholesteryl-3-iodobenzyl ether
CAS No: 130504-76-6 Catalog No: AG00A66Z MDL No:
Product Description
Catalog Number:
AG00A66Z
Chemical Name:
cholesteryl-3-iodobenzyl ether
CAS Number:
130504-76-6
IUPAC Name:
(3S,8S,9S,10R,13R,14S,17R)-3-[(3-iodophenyl)methoxy]-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/C34H51IO/c1-23(2)8-6-9-24(3)30-14-15-31-29-13-12-26-21-28(36-22-25-10-7-11-27(35)20-25)16-18-33(26,4)32(29)17-19-34(30,31)5/h7,10-12,20,23-24,28-32H,6,8-9,13-19,21-22H2,1-5H3/t24-,28+,29+,30-,31+,32+,33+,34-/m1/s1
InChI Key:
ZNFYQYCCNLHBML-BNFFSTEWSA-N
Properties
Complexity:
773
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
602.298g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
602.685g/mol
Monoisotopic Mass:
602.298g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.2
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