Home > Product Catalog > All > a-D-Glucopyranoside,3-O-benzoyl-1-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-b-D-fructofuranosyl O-b-D-glucopyranosyl-(1(R)4)-O-6-O-acetyl-b-D-glucopyranosyl-(1(R)3)-, 6-acetate4-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate] (9CI)

a-D-Glucopyranoside,3-O-benzoyl-1-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-b-D-fructofuranosyl O-b-D-glucopyranosyl-(1(R)4)-O-6-O-acetyl-b-D-glucopyranosyl-(1(R)3)-, 6-acetate4-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate] (9CI)

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Catalog No. : NC24177

CAS No. : 156031-89-9

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Molecular Formula : C₅₅H₆₆O₃₀

Chemical Name : a-D-Glucopyranoside,3-O-benzoyl-1-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-b-D-fructofuranosyl O-b-D-glucopyranosyl-(1(R)4)-O-6-O-acetyl-b-D-glucopyranosyl-(1(R)3)-, 6-acetate4-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate] (9CI)

Molecular Weight : 1,207.09

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Basic information

Standard English name
Cas No.	156031-89-9
Alias	a-D-Glucopyranoside,3-O-benzoyl-1-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-b-D-fructofuranosyl O-b-D-glucopyranosyl-(1(R)4)-O-6-O-acetyl-b-D-glucopyranosyl-(1(R)3)-, 6-acetate4-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate] (9CI)
Canonical Smiles	CC(=O)OCC1OC(OC2(COC(=O)C=CC3C=C(OC)C(O)=CC=3)OC(CO)C(O)C2OC(=O)C2C=CC=CC=2)C(O)C(OC2OC(COC(C)=O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C1OC(=O)C=CC1C=C(OC)C(O)=CC=1
MDL No.
Exact Mass	1,206.36390
Smiles	O=C(OCC1(OC2OC(COC(=O)C)C(OC(=O)C=CC3=CC=C(O)C(OC)=C3)C(OC4OC(COC(=O)C)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C2O)OC(CO)C(O)C1OC(=O)C=6C=CC=CC6)C=CC7=CC=C(O)C(OC)=C7

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Inchi	InChI=1S/C55H66O30/c1-25(58)74-22-36-47(81-52-44(68)42(66)40(64)34(20-56)77-52)43(67)45(69)53(78-36)82-49-46(70)54(79-37(23-75-26(2)59)48(49)80-39(63)17-13-28-11-15-31(61)33(19-28)73-4)85-55(24-76-38(62)16-12-27-10-14-30(60)32(18-27)72-3)50(41(65)35(21-57)84-55)83-51(71)29-8-6-5-7-9-29/h5-19,34-37,40-50,52-54,56-57,60-61,64-70H,20-24H2,1-4H3
InchiKey	PXMBERHODRABQI-UHFFFAOYSA-N
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