![BALLOTETROSIDE;(3,4-DIHYDROXYPHENYL)-2-ETHYL-[ALPHA-L-ARABINOPYRANOSYL-(1->2)-ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-BETA-D-APIOFURANOSYL-(1->6)-4-O-CAFFE](/api/spectrum/ItN2oJAbkwY/structure.png?h=300&w=458 "BALLOTETROSIDE;(3,4-DIHYDROXYPHENYL)-2-ETHYL-[ALPHA-L-ARABINOPYRANOSYL-(1->2)-ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-BETA-D-APIOFURANOSYL-(1->6)-4-O-CAFFE")
| SpectraBase Compound ID | GF3UloBghnV |
|---|---|
| InChI | InChI=1S/C39H52O23/c1-16-26(47)28(49)33(62-35-29(50)27(48)23(45)12-55-35)37(58-16)61-32-30(51)36(54-9-8-18-3-6-20(42)22(44)11-18)59-24(13-56-38-34(52)39(53,14-40)15-57-38)31(32)60-25(46)7-4-17-2-5-19(41)21(43)10-17/h2-7,10-11,16,23-24,26-38,40-45,47-53H,8-9,12-15H2,1H3/b7-4+/t16-,23-,24-,26-,27-,28+,29+,30-,31-,32-,33+,34-,35-,36-,37-,38+,39+/m0/s1 |
| InChIKey | NPVUMVVTBDKDDD-WQBDTMRZSA-N |
| Mol Weight | 888.8 g/mol |
| Molecular Formula | C39H52O23 |
| Exact Mass | 888.289938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ItN2oJAbkwY |
|---|---|
| Name | BALLOTETROSIDE;(3,4-DIHYDROXYPHENYL)-2-ETHYL-[ALPHA-L-ARABINOPYRANOSYL-(1->2)-ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-BETA-D-APIOFURANOSYL-(1->6)-4-O-CAFFE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H52O23 |
| InChI | InChI=1S/C39H52O23/c1-16-26(47)28(49)33(62-35-29(50)27(48)23(45)12-55-35)37(58-16)61-32-30(51)36(54-9-8-18-3-6-20(42)22(44)11-18)59-24(13-56-38-34(52)39(53,14-40)15-57-38)31(32)60-25(46)7-4-17-2-5-19(41)21(43)10-17/h2-7,10-11,16,23-24,26-38,40-45,47-53H,8-9,12-15H2,1H3/b7-4+/t16-,23-,24-,26-,27-,28+,29+,30-,31-,32-,33+,34-,35-,36-,37-,38+,39+/m0/s1 |
| InChIKey | NPVUMVVTBDKDDD-WQBDTMRZSA-N |
| Literature Reference Author | V.SEIDEL,F.BAILLEUL,F.LIBOT,F.TILLEQUIN |
| Literature Reference Citation | PHYTOCHEM.,44,691(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00578-X |
| Molecular Weight | 888.828 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWPA242 |