Benzoic acid, 4-[5-(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-2-phenyl-1,3-benzodioxol-2-yl]-, ethyl ester, (2R-trans)-
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![Benzoic acid, 4-[5-(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-2-phenyl-1,3-benzodioxol-2-yl]-, ethyl ester, (2R-trans)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220805/41221a38d1a04e2ba3978da677b87ea4.png "Benzoic acid, 4-[5-(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-2-phenyl-1,3-benzodioxol-2-yl]-, ethyl ester, (2R-trans)-")
Benzoic acid, 4-[5-(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-2-phenyl-1,3-benzodioxol-2-yl]-, ethyl ester, (2R-trans)-
structure -
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CAS No:
94139-05-6
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Formula:
C31H26O8
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Chemical Name:
Benzoic acid, 4-[5-(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-2-phenyl-1,3-benzodioxol-2-yl]-, ethyl ester, (2R-trans)-
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Synonyms:
Benzoic acid,4-[5-(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-2-phenyl-1,3-benzodioxol-2-yl]-,ethyl ester,(2R-trans)-
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CAS No:
Benzoic acid, 4-[5-(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-2-phenyl-1,3-benzodioxol-2-yl]-, ethyl ester, (2R-trans)- Basic Attributes
526.53334
526.53
303-020-0
DTXSID10240798
Computed Properties
Molecular Weight:526.5
XLogP3:5.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:526.16276778
Monoisotopic Mass:526.16276778
Topological Polar Surface Area:115
Heavy Atom Count:39
Complexity:838
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Benzoic acid, 4-[5-(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-2-phenyl-1,3-benzodioxol-2-yl]-, ethyl ester, (2R-trans)-
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