4-[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-8-ethenyl-1-hydroxy-10,12-dimethoxynaphtho[1,2-c]isochromen-6-one


Chemical Name: 4-[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-8-ethenyl-1-hydroxy-10,12-dimethoxynaphtho[1,2-c]isochromen-6-one
CAS Number: 77879-90-4
Product Number: AG0056WL(AGN-PC-00JZ21)
Synonyms:
MDL No:
Molecular Formula: C27H26O6
Molecular Weight: 446.4917

Identification/Properties


Computed Properties
Molecular Weight:
494.5g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
5
Exact Mass:
494.157682g/mol
Monoisotopic Mass:
494.157682g/mol
Topological Polar Surface Area:
135Ų
Heavy Atom Count:
36
Formal Charge:
0
Complexity:
821
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
5
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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