![#1;XERANTHIN;2S-[[5-O-(4-BETA-D-GLUCOPYRANOSYLOXY)-CAFFEOYL-BETA-APIOFURANOSYL-(1->4)]-BETA-D-XYLOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYLOXY]-2-(3-HYDROXY)-PHEN](/api/spectrum/ccOraxuQe0/structure.png?h=300&w=458 "#1;XERANTHIN;2S-[[5-O-(4-BETA-D-GLUCOPYRANOSYLOXY)-CAFFEOYL-BETA-APIOFURANOSYL-(1->4)]-BETA-D-XYLOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYLOXY]-2-(3-HYDROXY)-PHEN")
| SpectraBase Compound ID | CPrY2YNpodU |
|---|---|
| InChI | InChI=1S/C39H49NO23/c40-10-21(17-2-1-3-18(42)9-17)60-37-33(52)30(49)27(46)23(62-37)12-55-35-31(50)28(47)24(13-56-35)63-38-34(53)39(54,15-58-38)14-57-25(44)7-5-16-4-6-20(19(43)8-16)59-36-32(51)29(48)26(45)22(11-41)61-36/h1-9,21-24,26-38,41-43,45-54H,11-15H2/b7-5+/t21-,22+,23+,24-,26+,27+,28+,29-,30-,31-,32+,33+,34+,35-,36+,37+,38+,39-/m1/s1 |
| InChIKey | TZFKCHSUEPOYIV-ZKBJGNBWSA-N |
| Mol Weight | 899.8 g/mol |
| Molecular Formula | C39H49NO23 |
| Exact Mass | 899.269537 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ccOraxuQe0 |
|---|---|
| Name | #1;XERANTHIN;2S-[[5-O-(4-BETA-D-GLUCOPYRANOSYLOXY)-CAFFEOYL-BETA-APIOFURANOSYL-(1->4)]-BETA-D-XYLOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYLOXY]-2-(3-HYDROXY)-PHEN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H49NO23 |
| InChI | InChI=1S/C39H49NO23/c40-10-21(17-2-1-3-18(42)9-17)60-37-33(52)30(49)27(46)23(62-37)12-55-35-31(50)28(47)24(13-56-35)63-38-34(53)39(54,15-58-38)14-57-25(44)7-5-16-4-6-20(19(43)8-16)59-36-32(51)29(48)26(45)22(11-41)61-36/h1-9,21-24,26-38,41-43,45-54H,11-15H2/b7-5+/t21-,22+,23+,24-,26+,27+,28+,29-,30-,31-,32+,33+,34+,35-,36+,37+,38+,39-/m1/s1 |
| InChIKey | TZFKCHSUEPOYIV-ZKBJGNBWSA-N |
| Literature Reference Author | P.SCHWIND,V.WRAY,A.NAHRSTEDT |
| Literature Reference Citation | PHYTOCHEM.,29,1903(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85038-H |
| Molecular Weight | 899.811 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU32165 |