![3-O-BETA-D-XYLOSYL-(1-3)-[BETA-D-GALACTOSYL-(1-2)]-BETA-D-GLUCURONYLGYPSOGENIN-28-O-BETA-D-XYLOSYL-(1-4)-[BETA-D-GLUCOSYL-(1-3)]-ALPHA-L-RHAMNOSYL-(1->2)-BETA-](/api/spectrum/BnMbIrbC7rZ/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-(1-4)-[BETA-D-GLUCOSYL-(1-3)]-ALPHA-L-RHAMNOSYL-(1->2)-BETA-")
| SpectraBase Compound ID | Bhr6XX5AggM |
|---|---|
| InChI | InChI=1S/C72H112O37/c1-26-51(99-28(3)76)48(89)56(107-63-50(91)54(105-61-46(87)42(83)40(81)33(21-73)100-61)52(27(2)97-63)103-59-44(85)38(79)31(77)23-95-59)64(98-26)109-66(94)72-18-16-67(4,5)20-30(72)29-10-11-36-68(6)14-13-37(69(7,25-75)35(68)12-15-71(36,9)70(29,8)17-19-72)102-65-57(108-62-47(88)43(84)41(82)34(22-74)101-62)53(49(90)55(106-65)58(92)93)104-60-45(86)39(80)32(78)24-96-60/h10,25-27,30-57,59-65,73-74,77-91H,11-24H2,1-9H3,(H,92,93)/t26-,27+,30?,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-,59+,60+,61+,62+,63+,64+,65-,68+,69+,70-,71-,72+/m1/s1 |
| InChIKey | CPYWBUDVVPMTPA-NTCQFXRCSA-N |
| Mol Weight | 1569.7 g/mol |
| Molecular Formula | C72H112O37 |
| Exact Mass | 1568.688245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BnMbIrbC7rZ |
|---|---|
| Name | 3-O-BETA-D-XYLOSYL-(1-3)-[BETA-D-GALACTOSYL-(1-2)]-BETA-D-GLUCURONYLGYPSOGENIN-28-O-BETA-D-XYLOSYL-(1-4)-[BETA-D-GLUCOSYL-(1-3)]-ALPHA-L-RHAMNOSYL-(1->2)-BETA- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H112O37 |
| InChI | InChI=1S/C72H112O37/c1-26-51(99-28(3)76)48(89)56(107-63-50(91)54(105-61-46(87)42(83)40(81)33(21-73)100-61)52(27(2)97-63)103-59-44(85)38(79)31(77)23-95-59)64(98-26)109-66(94)72-18-16-67(4,5)20-30(72)29-10-11-36-68(6)14-13-37(69(7,25-75)35(68)12-15-71(36,9)70(29,8)17-19-72)102-65-57(108-62-47(88)43(84)41(82)34(22-74)101-62)53(49(90)55(106-65)58(92)93)104-60-45(86)39(80)32(78)24-96-60/h10,25-27,30-57,59-65,73-74,77-91H,11-24H2,1-9H3,(H,92,93)/t26-,27+,30?,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-,59+,60+,61+,62+,63+,64+,65-,68+,69+,70-,71-,72+/m1/s1 |
| InChIKey | CPYWBUDVVPMTPA-NTCQFXRCSA-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 | 1569.659 g/mol |
| Solvent | CD3OD:D2O=1:1 |
| Source File Reference | UIAP1093 |