Home > Product Catalog > All > Benzoic acid, 3,4,5-trihydroxy-, (2R,3R,4S,4aS,10bS)-2,3,4,4a,6,10b-hexahydro-3,8,10-trihydroxy-9-methoxy-6-oxo-2-[[(3,4,5-trihydroxybenzoyl)oxy]methyl]pyrano[3,2-c][2]benzopyran-4-yl ester

Benzoic acid, 3,4,5-trihydroxy-, (2R,3R,4S,4aS,10bS)-2,3,4,4a,6,10b-hexahydro-3,8,10-trihydroxy-9-methoxy-6-oxo-2-[[(3,4,5-trihydroxybenzoyl)oxy]methyl]pyrano[3,2-c][2]benzopyran-4-yl ester

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Catalog No. : NC22653

CAS No. : 128332-18-3

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Molecular Formula : C₂₈H₂₄O₁₇

Chemical Name : Benzoic acid, 3,4,5-trihydroxy-, (2R,3R,4S,4aS,10bS)-2,3,4,4a,6,10b-hexahydro-3,8,10-trihydroxy-9-methoxy-6-oxo-2-[[(3,4,5-trihydroxybenzoyl)oxy]methyl]pyrano[3,2-c][2]benzopyran-4-yl ester

Molecular Weight : 632.48

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Basic information

Standard English name
Cas No.	128332-18-3
Alias	Benzoic acid, 3,4,5-trihydroxy-, (2R,3R,4S,4aS,10bS)-2,3,4,4a,6,10b-hexahydro-3,8,10-trihydroxy-9-methoxy-6-oxo-2-[[(3,4,5-trihydroxybenzoyl)oxy]methyl]pyrano[3,2-c][2]benzopyran-4-yl ester
Canonical Smiles	COC1C(O)=C2C3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O)C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C3OC(=O)C2=CC=1O
MDL No.
Exact Mass	632.10136
Smiles	O=C(OCC1OC2C3=C(O)C(OC)=C(O)C=C3C(=O)OC2C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C1O)C5=CC(O)=C(O)C(O)=C5

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Inchi	InChI=1S/C28H24O17/c1-41-22-15(33)6-10-17(21(22)37)23-25(45-28(10)40)24(44-27(39)9-4-13(31)19(35)14(32)5-9)20(36)16(43-23)7-42-26(38)8-2-11(29)18(34)12(30)3-8/h2-6,16,20,23-25,29-37H,7H2,1H3
InchiKey	LASUFZXDCFZCRI-UHFFFAOYSA-N
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