| SpectraBase Compound ID | GlZbGNXJj9s |
|---|---|
| InChI | InChI=1S/C36H45NO17/c1-10-17(2)31(44)53-29-26(49-19(4)39)30(52-22(7)42)35(16-47-18(3)38)28(51-21(6)41)25(43)24-27(50-20(5)40)36(35,34(29,9)46)54-33(24,8)15-48-32(45)23-12-11-13-37-14-23/h11-14,17,24,26-30,46H,10,15-16H2,1-9H3/t17?,24-,26+,27-,28-,29+,30+,33+,34+,35-,36+/m1/s1 |
| InChIKey | VZNBBVMTJYKZLE-MZTYBCHISA-N |
| Mol Weight | 763.7 g/mol |
| Molecular Formula | C36H45NO17 |
| Exact Mass | 763.268749 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4qoWg1ugmSJ |
|---|---|
| Name | 1-BETA,2-BETA,5-ALPHA,8-BETA,11-PENTAACETOXY-4-ALPHA-HYDROXY-3-ALPHA-(2'-METHYLBUTANOYL)-15-NICOTINOYL-7-OXO-DIHYDROAGAROFURAN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H45NO17 |
| InChI | InChI=1S/C36H45NO17/c1-10-17(2)31(44)53-29-26(49-19(4)39)30(52-22(7)42)35(16-47-18(3)38)28(51-21(6)41)25(43)24-27(50-20(5)40)36(35,34(29,9)46)54-33(24,8)15-48-32(45)23-12-11-13-37-14-23/h11-14,17,24,26-30,46H,10,15-16H2,1-9H3/t17?,24-,26+,27-,28-,29+,30+,33+,34+,35-,36+/m1/s1 |
| InChIKey | VZNBBVMTJYKZLE-MZTYBCHISA-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 | 763.750 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN1726 |