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71394-73-5 | 2,4,6,8,10,12,14-Pentadecaheptaenoicacid, 15-(4-methoxyphenyl)-,3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl ester
CAS No: 71394-73-5 Catalog No: AG005IZ1 MDL No:
Product Description
Catalog Number:
AG005IZ1
Chemical Name:
2,4,6,8,10,12,14-Pentadecaheptaenoicacid, 15-(4-methoxyphenyl)-,3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl ester
CAS Number:
71394-73-5
Molecular Formula:
C46H62O4
Molecular Weight:
678.9821
IUPAC Name:
[3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl] 15-(4-methoxyphenyl)pentadeca-2,4,6,8,10,12,14-heptaenoate
InChI:
InChI=1S/C46H62O4/c1-38(2)26-21-17-15-16-19-23-30-43-44(49-6)36-41(29-25-27-39(3)4)37-45(43)50-46(47)31-24-20-14-12-10-8-7-9-11-13-18-22-28-40-32-34-42(48-5)35-33-40/h7-14,18,20,22,24,28,31-39H,15-17,19,21,23,25-27,29-30H2,1-6H3
InChI Key:
MEMAZGJOGGJEFC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)Oc1cc(CCCC(C)C)cc(c1CCCCCCCCC(C)C)OC
Properties
Complexity:
1070
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
678.465g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
678.998g/mol
Monoisotopic Mass:
678.465g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
7
XLogP3:
15.6
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