| SpectraBase Compound ID | KjqOdeLJONB |
|---|---|
| InChI | InChI=1S/C36H41NO14/c1-19(38)45-18-35-28(47-21(3)40)25(46-20(2)39)16-34(7,44)36(35)29(48-22(4)41)26(33(5,6)51-36)27(49-32(43)24-14-11-15-37-17-24)30(35)50-31(42)23-12-9-8-10-13-23/h8-15,17,25-30,44H,16,18H2,1-7H3/t25-,26+,27+,28-,29+,30-,34-,35-,36-/m1/s1 |
| InChIKey | XEBVXBYLWUNWIT-WERZAUROSA-N |
| Mol Weight | 711.7 g/mol |
| Molecular Formula | C36H41NO14 |
| Exact Mass | 711.252705 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 78aUswZ0wOb |
|---|---|
| Name | 1-BETA,2-BETA,5-ALPHA,11-TETRAACETOXY-8-ALPHA-BENZOYL-4-ALPHA-HYDROXY-7-BETA-NICOTINOYL-DIHYDROAGAROFURAN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H41NO14 |
| InChI | InChI=1S/C36H41NO14/c1-19(38)45-18-35-28(47-21(3)40)25(46-20(2)39)16-34(7,44)36(35)29(48-22(4)41)26(33(5,6)51-36)27(49-32(43)24-14-11-15-37-17-24)30(35)50-31(42)23-12-9-8-10-13-23/h8-15,17,25-30,44H,16,18H2,1-7H3/t25-,26+,27+,28-,29+,30-,34-,35-,36-/m1/s1 |
| InChIKey | XEBVXBYLWUNWIT-WERZAUROSA-N |
| Literature Reference Author | H.Q.DUAN,Y.TAKAISHI,Y.F.JIA,D.LI |
| Literature Reference Citation | PHYTOCHEM.,56,341(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00369-1 |
| Molecular Weight | 711.720 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN1729 |