Home > Product Catalog > All > Benzoic acid, 3,4,5-trihydroxy-, (2R,3R,4S,4aR,10bS)-2,3,4,4a,6,10b-hexahydro-3,8,9,10-tetrahydroxy-2-(hydroxymethyl)-6-oxopyrano[3,2-c][2]benzopyran-4-yl ester

Benzoic acid, 3,4,5-trihydroxy-, (2R,3R,4S,4aR,10bS)-2,3,4,4a,6,10b-hexahydro-3,8,9,10-tetrahydroxy-2-(hydroxymethyl)-6-oxopyrano[3,2-c][2]benzopyran-4-yl ester

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Catalog No. : NC22513

CAS No. : 126105-49-5

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Molecular Formula : C₂₀H₁₈O₁₃

Chemical Name : Benzoic acid, 3,4,5-trihydroxy-, (2R,3R,4S,4aR,10bS)-2,3,4,4a,6,10b-hexahydro-3,8,9,10-tetrahydroxy-2-(hydroxymethyl)-6-oxopyrano[3,2-c][2]benzopyran-4-yl ester

Molecular Weight : 466.35

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Standard English name
Cas No.	126105-49-5
Alias	Benzoic acid, 3,4,5-trihydroxy-, (2R,3R,4S,4aR,10bS)-2,3,4,4a,6,10b-hexahydro-3,8,9,10-tetrahydroxy-2-(hydroxymethyl)-6-oxopyrano[3,2-c][2]benzopyran-4-yl ester
Canonical Smiles	OC1C(CO)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C32)C1OC(=O)C1C=C(O)C(O)=C(O)C=1
MDL No.
Exact Mass	466.07475
Smiles	O=C(OC1C(O)C(OC2C3=C(O)C(O)=C(O)C=C3C(=O)OC21)CO)C4=CC(O)=C(O)C(O)=C4

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Inchi	InChI=1S/C20H18O13/c21-4-10-14(27)17(32-19(29)5-1-7(22)12(25)8(23)2-5)18-16(31-10)11-6(20(30)33-18)3-9(24)13(26)15(11)28/h1-3,10,14,16-18,21-28H,4H2
InchiKey	SYWMLYSEFOKNQT-UHFFFAOYSA-N
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