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74728-04-4 | 19-iodocholesteryl oleate
CAS No: 74728-04-4 Catalog No: AG00FT4S MDL No:
Product Description
Catalog Number:
AG00FT4S
Chemical Name:
19-iodocholesteryl oleate
CAS Number:
74728-04-4
IUPAC Name:
[(3S,8S,9S,10S,13R,14S,17R)-10-(iodomethyl)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
InChI:
InChI=1S/C45H77IO2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-43(47)48-38-29-32-45(34-46)37(33-38)25-26-39-41-28-27-40(36(4)23-21-22-35(2)3)44(41,5)31-30-42(39)45/h13-14,25,35-36,38-42H,6-12,15-24,26-34H2,1-5H3/b14-13+/t36-,38+,39+,40-,41+,42+,44-,45-/m1/s1
InChI Key:
IVGLJLLTGGIZTK-KEAFGKSPSA-N
Properties
Complexity:
999
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
1
Exact Mass:
776.497g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
777.013g/mol
Monoisotopic Mass:
776.497g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
17.3
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