1,1′-[Methylenebis[(2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8,3-diyl]] bis(3,4,5-trihydroxybenzoate)
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1,1′-[Methylenebis[(2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8,3-diyl]] bis(3,4,5-trihydroxybenzoate)
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CAS No:
126737-60-8
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Formula:
C45H36O22
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Chemical Name:
1,1′-[Methylenebis[(2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8,3-diyl]] bis(3,4,5-trihydroxybenzoate)
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Synonyms:
Benzoic acid,3,4,5-trihydroxy-,1,1′-[methylenebis[(2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8,3-diyl]] ester;Benzoic acid,3,4,5-trihydroxy-,methylenebis[3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8,3-diyl] ester,[2R-[2α,3α,8(2R*,3R*)]]-;Benzoic acid,3,4,5-trihydroxy-,methylenebis[(2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8,3-diyl] ester;1,1′-[Methylenebis[(2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8,3-diyl]] bis(3,4,5-trihydroxybenzoate);Oolonghomobisflavan A;(-)-Oolonghomobisflavan A
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CAS No:
1,1′-[Methylenebis[(2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8,3-diyl]] bis(3,4,5-trihydroxybenzoate) Basic Attributes
928.8 g/mol
928.75
Computed Properties
Molecular Weight:928.8
XLogP3:4.5
Hydrogen Bond Donor Count:16
Hydrogen Bond Acceptor Count:22
Rotatable Bond Count:10
Exact Mass:928.16982277
Monoisotopic Mass:928.16982277
Topological Polar Surface Area:395
Heavy Atom Count:67
Complexity:1530
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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