![3-O-BETA-D-XYLOSYL-(1-3)-[BETA-D-GALACTOSYL-(1-2)]-BETA-D-GLUCURONYLGYPSOGENIN-28-O-BETA-D-XYLOSYL-(1-3)-BETA-D-XYLOSYL-(1->4)-[BETA-D-GLUCOSYL-(1-3)]-ALPHA-L-](/api/spectrum/1VGRunK9av6/structure.png?h=300&w=458 "3-O-BETA-D-XYLOSYL-(1-3)-[BETA-D-GALACTOSYL-(1-2)]-BETA-D-GLUCURONYLGYPSOGENIN-28-O-BETA-D-XYLOSYL-(1-3)-BETA-D-XYLOSYL-(1->4)-[BETA-D-GLUCOSYL-(1-3)]-ALPHA-L-")
| SpectraBase Compound ID | DGMmwTTCzMx |
|---|---|
| InChI | InChI=1S/C77H120O41/c1-27-54(107-29(3)81)50(95)60(116-68-53(98)58(114-66-48(93)44(89)42(87)35(21-78)108-66)55(28(2)105-68)111-65-52(97)56(34(84)25-104-65)112-63-46(91)40(85)32(82)23-102-63)69(106-27)118-71(101)77-18-16-72(4,5)20-31(77)30-10-11-38-73(6)14-13-39(74(7,26-80)37(73)12-15-76(38,9)75(30,8)17-19-77)110-70-61(117-67-49(94)45(90)43(88)36(22-79)109-67)57(51(96)59(115-70)62(99)100)113-64-47(92)41(86)33(83)24-103-64/h10,26-28,31-61,63-70,78-79,82-98H,11-25H2,1-9H3,(H,99,100)/t27-,28+,31?,32-,33-,34-,35-,36-,37?,38?,39+,40+,41+,42-,43+,44+,45+,46-,47-,48-,49-,50+,51+,52-,53-,54+,55+,56+,57+,58+,59+,60-,61-,63+,64+,65+,66+,67+,68+,69+,70-,73+,74+,75-,76-,77+/m1/s1 |
| InChIKey | CZERVEZDFDLOPJ-LHWNZZGUSA-N |
| Mol Weight | 1701.8 g/mol |
| Molecular Formula | C77H120O41 |
| Exact Mass | 1700.730503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1VGRunK9av6 |
|---|---|
| Name | 3-O-BETA-D-XYLOSYL-(1-3)-[BETA-D-GALACTOSYL-(1-2)]-BETA-D-GLUCURONYLGYPSOGENIN-28-O-BETA-D-XYLOSYL-(1-3)-BETA-D-XYLOSYL-(1->4)-[BETA-D-GLUCOSYL-(1-3)]-ALPHA-L- |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C77H120O41 |
| InChI | InChI=1S/C77H120O41/c1-27-54(107-29(3)81)50(95)60(116-68-53(98)58(114-66-48(93)44(89)42(87)35(21-78)108-66)55(28(2)105-68)111-65-52(97)56(34(84)25-104-65)112-63-46(91)40(85)32(82)23-102-63)69(106-27)118-71(101)77-18-16-72(4,5)20-31(77)30-10-11-38-73(6)14-13-39(74(7,26-80)37(73)12-15-76(38,9)75(30,8)17-19-77)110-70-61(117-67-49(94)45(90)43(88)36(22-79)109-67)57(51(96)59(115-70)62(99)100)113-64-47(92)41(86)33(83)24-103-64/h10,26-28,31-61,63-70,78-79,82-98H,11-25H2,1-9H3,(H,99,100)/t27-,28+,31?,32-,33-,34-,35-,36-,37?,38?,39+,40+,41+,42-,43+,44+,45+,46-,47-,48-,49-,50+,51+,52-,53-,54+,55+,56+,57+,58+,59+,60-,61-,63+,64+,65+,66+,67+,68+,69+,70-,73+,74+,75-,76-,77+/m1/s1 |
| InChIKey | CZERVEZDFDLOPJ-LHWNZZGUSA-N |
| Literature Reference Author | C.SIEPMANN,G.BADER,K.HILLER,V.WRAY,T.DOMKE,M.NIMTZ |
| Literature Reference Citation | PLANTA.MED.,64,159(1998) |
| Literature Reference DOI | 10.1055/s-2006-957395 |
| Molecular Weight | 1701.775 g/mol |
| Solvent | CD3OD |
| Source File Reference | UIAP1094 |