7H-Furo[3,2-g][1]benzopyran-7-one,4-[[(2E)-6,7-dihydroxy-3,7-dimethyl-2-octenyl]oxy]-


Chemical Name: 7H-Furo[3,2-g][1]benzopyran-7-one,4-[[(2E)-6,7-dihydroxy-3,7-dimethyl-2-octenyl]oxy]-
CAS Number: 145414-76-2
Product Number: AG001D0L(AGN-PC-0PX48R)
Synonyms:
MDL No:
Molecular Formula: C21H24O6
Molecular Weight: 372.4117

Identification/Properties


Computed Properties
Molecular Weight:
372.417g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
7
Exact Mass:
372.157g/mol
Monoisotopic Mass:
372.157g/mol
Topological Polar Surface Area:
89.1A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
596
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



6′,7′-Dihydroxybergamottin (DHB) is a natural compound found in grapefruits that has gained significant attention in the field of chemical synthesis due to its versatile applications. As a potent inhibitor of the enzyme cytochrome P450 3A4, DHB is commonly used in pharmaceutical research and drug development to improve the bioavailability and efficacy of various medications. Additionally, DHB is utilized in the synthesis of novel chemical entities by serving as a key building block in the creation of structurally diverse compounds. Its ability to modulate drug metabolism and enhance the pharmacokinetic properties of therapeutic agents makes 6′,7′-Dihydroxybergamottin a valuable tool in the realm of chemical synthesis.