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

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

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Catalog No. : NC33939

CAS No. : 82958-46-1

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Molecular Formula : C₂₀H₁₈O₁₃

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

Molecular Weight : 466.35

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Basic information

Standard English name
Cas No.	82958-46-1
Alias	Benzoic acid, 3,4,5-trihydroxy-, [(2R,3S,4S,4aR,10bS)-2,3,4,4a,6,10b-hexahydro-3,4,8,9,10-pentahydroxy-6-oxopyrano[3,2-c][2]benzopyran-2-yl]methyl ester (9CI)
Canonical Smiles	OC1C=C2C(C3OC(COC(=O)C4C=C(O)C(O)=C(O)C=4)C(O)C(O)C3OC2=O)=C(O)C=1O
MDL No.
Exact Mass	466.07475
Smiles	O=C(OCC1OC2C3=C(O)C(O)=C(O)C=C3C(=O)OC2C(O)C1O)C4=CC(O)=C(O)C(O)=C4

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