![SECURIGENIN-3-BETA-O-[ALPHA-ALLOSYL-(1->4)-BETA-6-DEOXYALLOSIDE]](/api/spectrum/9jJNptJzmU6/structure.png?h=300&w=458 "SECURIGENIN-3-BETA-O-[ALPHA-ALLOSYL-(1->4)-BETA-6-DEOXYALLOSIDE]")
| SpectraBase Compound ID | KYTb2DBz5HB |
|---|---|
| InChI | InChI=1S/C35H52O15/c1-15-30(50-32-28(43)26(41)25(40)22(12-36)49-32)27(42)29(44)31(47-15)48-18-5-7-34(14-37)17(10-18)3-4-20-24(34)21(38)11-33(2)19(6-8-35(20,33)45)16-9-23(39)46-13-16/h9,14-15,17-22,24-32,36,38,40-45H,3-8,10-13H2,1-2H3/t15-,17-,18+,19-,20?,21-,22+,24?,25+,26+,27+,28+,29-,30-,31+,32-,33-,34-,35+/m1/s1 |
| InChIKey | GRHVHJOALYNPBX-VCAUWFCCSA-N |
| Mol Weight | 712.8 g/mol |
| Molecular Formula | C35H52O15 |
| Exact Mass | 712.330621 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9jJNptJzmU6 |
|---|---|
| Name | SECURIGENIN-3-BETA-O-[ALPHA-ALLOSYL-(1->4)-BETA-6-DEOXYALLOSIDE] |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H52O15 |
| InChI | InChI=1S/C35H52O15/c1-15-30(50-32-28(43)26(41)25(40)22(12-36)49-32)27(42)29(44)31(47-15)48-18-5-7-34(14-37)17(10-18)3-4-20-24(34)21(38)11-33(2)19(6-8-35(20,33)45)16-9-23(39)46-13-16/h9,14-15,17-22,24-32,36,38,40-45H,3-8,10-13H2,1-2H3/t15-,17-,18+,19-,20?,21-,22+,24?,25+,26+,27+,28+,29-,30-,31+,32-,33-,34-,35+/m1/s1 |
| InChIKey | GRHVHJOALYNPBX-VCAUWFCCSA-N |
| Literature Reference Author | A.ANKLI,J.HEILMANN,M.HEINRICH,O.STICHER |
| Literature Reference Citation | PHYTOCHEM.,54,531(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00144-8 |
| Molecular Weight | 712.789 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU1343 |