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Benzoic acid, 3,4,5-trihydroxy-, 2,3,4,4a,6,10b-hexahydro-8,10-dihydroxy-9-methoxy-6-oxo-2-[[(3,4,5-trihydroxybenzoyl)oxy]methyl]pyrano[3,2-c][2]benzopyran-3,4-diyl ester, [2R-(2α,3β,4α,4aα,10bβ)]-

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Catalog No. : NC22651

CAS No. : 128308-98-5

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Molecular Formula : C₃₅H₂₈O₂₁

Chemical Name : Benzoic acid, 3,4,5-trihydroxy-, 2,3,4,4a,6,10b-hexahydro-8,10-dihydroxy-9-methoxy-6-oxo-2-[[(3,4,5-trihydroxybenzoyl)oxy]methyl]pyrano[3,2-c][2]benzopyran-3,4-diyl ester, [2R-(2α,3β,4α,4aα,10bβ)]-

Molecular Weight : 784.58

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Basic information

Standard English name
Cas No.	128308-98-5
Alias	Benzoic acid, 3,4,5-trihydroxy-, 2,3,4,4a,6,10b-hexahydro-8,10-dihydroxy-9-methoxy-6-oxo-2-[[(3,4,5-trihydroxybenzoyl)oxy]methyl]pyrano[3,2-c][2]benzopyran-3,4-diyl ester, [2R-(2α,3β,4α,4aα,10bβ)]-
Canonical Smiles	COC1C(O)=C2C3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C3OC(=O)C2=CC=1O
MDL No.
Exact Mass	784.11232
Smiles	O=C(OCC1OC2C3=C(O)C(OC)=C(O)C=C3C(=O)OC2C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C1OC(=O)C5=CC(O)=C(O)C(O)=C5)C6=CC(O)=C(O)C(O)=C6

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Inchi	InChI=1S/C35H28O21/c1-51-27-20(42)8-13-22(26(27)46)29-31(56-35(13)50)30(55-34(49)12-6-18(40)25(45)19(41)7-12)28(54-33(48)11-4-16(38)24(44)17(39)5-11)21(53-29)9-52-32(47)10-2-14(36)23(43)15(37)3-10/h2-8,21,28-31,36-46H,9H2,1H3
InchiKey	ZBKSAJKWSCCOPR-UHFFFAOYSA-N
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