1-[3-dodecanoyl-2,4,6-trihydroxy-5-[(2R,4R)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]dodecan-1-one


Chemical Name: 1-[3-dodecanoyl-2,4,6-trihydroxy-5-[(2R,4R)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]dodecan-1-one
CAS Number: 144337-18-8
Product Number: AG001JD4(AGN-PC-077R90)
Synonyms:
MDL No:
Molecular Formula: C45H62O8
Molecular Weight: 730.9690

Identification/Properties


Computed Properties
Molecular Weight:
730.983g/mol
XLogP3:
14.3
Hydrogen Bond Donor Count:
5
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
24
Exact Mass:
730.444g/mol
Monoisotopic Mass:
730.444g/mol
Topological Polar Surface Area:
145A^2
Heavy Atom Count:
53
Formal Charge:
0
Complexity:
980
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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