| SpectraBase Compound ID | Vfj6ba7AY4 |
|---|---|
| InChI | InChI=1S/C33H46O17/c1-43-18-7-14(8-19(44-2)25(18)37)22-16(15(9-34)5-13-6-20(45-3)27(39)31(46-4)23(13)22)10-47-33-30(42)28(40)26(38)21(50-33)12-49-32-29(41)24(36)17(35)11-48-32/h6-8,15-17,21-22,24,26,28-30,32-42H,5,9-12H2,1-4H3/t15-,16-,17+,21+,22+,24-,26+,28-,29+,30+,32-,33+/m0/s1 |
| InChIKey | IFFTWWDKJJNMJU-LLYFUYRNSA-N |
| Mol Weight | 714.7 g/mol |
| Molecular Formula | C33H46O17 |
| Exact Mass | 714.2735 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DWXiZ9m2Lic |
|---|---|
| Name | ALANGILIGNOSIDE-A;6''-BETA-D-XYLOPYRANOSYL-(+)-LYONIRESINOL-3A-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H46O17 |
| InChI | InChI=1S/C33H46O17/c1-43-18-7-14(8-19(44-2)25(18)37)22-16(15(9-34)5-13-6-20(45-3)27(39)31(46-4)23(13)22)10-47-33-30(42)28(40)26(38)21(50-33)12-49-32-29(41)24(36)17(35)11-48-32/h6-8,15-17,21-22,24,26,28-30,32-42H,5,9-12H2,1-4H3/t15-,16-,17+,21+,22+,24-,26+,28-,29+,30+,32-,33+/m0/s1 |
| InChIKey | IFFTWWDKJJNMJU-LLYFUYRNSA-N |
| Literature Reference Author | K.YUASA,T.IDE,H.OTSUKA,C.OGIMI,E.HIRATA,A.TAKUSHI,Y.TAKEDA |
| Literature Reference Citation | PHYTOCHEM.,45,611(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00879-5 |
| Molecular Weight | 714.718 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSP1486 |