Benzoic acid, 3,5-dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]-, 5-carboxy-5-hydroxy-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexyl ester, [1R-(1α,2β,3β,5β)]-
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![Benzoic acid, 3,5-dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]-, 5-carboxy-5-hydroxy-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexyl ester, [1R-(1α,2β,3β,5β)]- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/34bfb37c1ac34b42a03c48809c85fefd.png "Benzoic acid, 3,5-dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]-, 5-carboxy-5-hydroxy-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexyl ester, [1R-(1α,2β,3β,5β)]-")
Benzoic acid, 3,5-dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]-, 5-carboxy-5-hydroxy-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexyl ester, [1R-(1α,2β,3β,5β)]-
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CAS No:
123166-69-8
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Formula:
C35H28O22
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Chemical Name:
Benzoic acid, 3,5-dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]-, 5-carboxy-5-hydroxy-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexyl ester, [1R-(1α,2β,3β,5β)]-
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Synonyms:
Benzoic acid,3,5-dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]-,5-carboxy-5-hydroxy-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexyl ester,[1R-(1α,2β,3β,5β)]-
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CAS No:
Benzoic acid, 3,5-dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]-, 5-carboxy-5-hydroxy-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexyl ester, [1R-(1α,2β,3β,5β)]- Basic Attributes
800.6 g/mol
800.58
DTXSID10153874
Computed Properties
Molecular Weight:800.6
XLogP3:1.8
Hydrogen Bond Donor Count:13
Hydrogen Bond Acceptor Count:22
Rotatable Bond Count:13
Exact Mass:800.10722252
Monoisotopic Mass:800.10722252
Topological Polar Surface Area:385
Heavy Atom Count:57
Complexity:1430
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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