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149775-71-3 | Acetic acid, 2,2'-[[5,7,17,23-tetrakis(1,1-dimethylethyl)-26,28-dimethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),14,17,19(26),21,23-dodecaene-25,27-diyl]bis(oxy)]bis-, 1,1'-diethyl ester
CAS No: 149775-71-3 Catalog No: AG001M0C MDL No:
Product Description
Catalog Number:
AG001M0C
Chemical Name:
Acetic acid, 2,2'-[[5,7,17,23-tetrakis(1,1-dimethylethyl)-26,28-dimethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),14,17,19(26),21,23-dodecaene-25,27-diyl]bis(oxy)]bis-, 1,1'-diethyl ester
CAS Number:
149775-71-3
IUPAC Name:
ethyl 2-[[5,11,17,23-tetratert-butyl-27-(2-ethoxy-2-oxoethoxy)-26,28-dimethoxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]acetate
InChI:
InChI=1S/C54H72O8/c1-17-59-45(55)31-61-49-37-19-33-23-41(51(3,4)5)25-35(47(33)57-15)21-39-29-44(54(12,13)14)30-40(50(39)62-32-46(56)60-18-2)22-36-26-42(52(6,7)8)24-34(48(36)58-16)20-38(49)28-43(27-37)53(9,10)11/h23-30H,17-22,31-32H2,1-16H3
InChI Key:
YKBOZEHACZIDBO-UHFFFAOYSA-N
Properties
Complexity:
1260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
848.523g/mol
Formal Charge:
0
Heavy Atom Count:
62
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
849.162g/mol
Monoisotopic Mass:
848.523g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
89.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.8
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