4H-Pyran-4-one,2-(10-hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraenyl)-6-methoxy-3,5-dimethyl-


Chemical Name: 4H-Pyran-4-one,2-(10-hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraenyl)-6-methoxy-3,5-dimethyl-
CAS Number: 88378-59-0
Product Number: AG004FRO(AGN-PC-0VL2RY)
Synonyms:
MDL No: MFCD01694000
Molecular Formula: C25H36O4
Molecular Weight: 400.5509

Identification/Properties


Computed Properties
Molecular Weight:
400.559g/mol
XLogP3:
6.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
9
Exact Mass:
400.261g/mol
Monoisotopic Mass:
400.261g/mol
Topological Polar Surface Area:
55.8A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
788
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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