![Tomatine-[xyl-(β 1,3),glu-(β 1,2)->glu-(β 1,4)->gal-(β 1)->]](/api/spectrum/LpAwnxnHhG4/structure.png?h=300&w=458 "Tomatine-[xyl-(β 1,3),glu-(β 1,2)->glu-(β 1,4)->gal-(β 1)->]")
| SpectraBase Compound ID | FguRkCOYvbJ |
|---|---|
| InChI | InChI=1S/C50H83NO21/c1-20-7-12-50(51-15-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(63)37(60)41(31(18-54)68-45)69-47-43(71-46-39(62)36(59)34(57)29(16-52)66-46)42(35(58)30(17-53)67-47)70-44-38(61)33(56)27(55)19-64-44/h20-47,51-63H,5-19H2,1-4H3/t20-,21-,22-,23-,24+,25-,26-,27+,28-,29+,30+,31+,32-,33-,34+,35+,36-,37+,38+,39+,40+,41-,42-,43+,44-,45+,46-,47-,48-,49-,50-/m0/s1 |
| InChIKey | REJLGAUYTKNVJM-SGXCCWNXSA-N |
| Mol Weight | 1034.2 g/mol |
| Molecular Formula | C50H83NO21 |
| Exact Mass | 1033.545759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LpAwnxnHhG4 |
|---|---|
| Name | Tomatine-[xyl-(β 1,3),glu-(β 1,2)->glu-(β 1,4)->gal-(β 1)->] |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C50H83NO21/c1-20-7-12-50(51-15-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(63)37(60)41(31(18-54)68-45)69-47-43(71-46-39(62)36(59)34(57)29(16-52)66-46)42(35(58)30(17-53)67-47)70-44-38(61)33(56)27(55)19-64-44/h20-47,51-63H,5-19H2,1-4H3/t20-,21-,22-,23-,24+,25-,26-,27+,28-,29+,30+,31+,32-,33-,34+,35+,36-,37+,38+,39+,40+,41-,42-,43+,44-,45+,46-,47-,48-,49-,50-/m0/s1 |
| InChIKey | REJLGAUYTKNVJM-SGXCCWNXSA-N |
| Literature Reference | W.WILLKER,D.LEIBFRITZ MAGN.RES.CHEM.,30,645(1992) |
| Solvent | Pyridine-d5 |