| SpectraBase Compound ID | AtrHDKrH0GC |
|---|---|
| InChI | InChI=1S/C34H39NO12/c1-19(36)42-18-33-24(43-20(2)37)14-15-32(6,41)34(33)27(44-21(3)38)25(31(4,5)47-34)26(45-29(39)22-11-8-7-9-12-22)28(33)46-30(40)23-13-10-16-35-17-23/h7-13,16-17,24-28,41H,14-15,18H2,1-6H3/t24-,25+,26+,27+,28+,32-,33-,34-/m0/s1 |
| InChIKey | LISHAQDJMDPPOF-TVUKNPRMSA-N |
| Mol Weight | 653.7 g/mol |
| Molecular Formula | C34H39NO12 |
| Exact Mass | 653.247226 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 548F7UER8Id |
|---|---|
| Name | 1-BETA,5-ALPHA,11-TRIACETOXY-7-BETA-BENZOYL-4-ALPHA-HYDROXY-8-BETA-NICOTINOYL-DIHYDROAGAROFURAN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H39NO12 |
| InChI | InChI=1S/C34H39NO12/c1-19(36)42-18-33-24(43-20(2)37)14-15-32(6,41)34(33)27(44-21(3)38)25(31(4,5)47-34)26(45-29(39)22-11-8-7-9-12-22)28(33)46-30(40)23-13-10-16-35-17-23/h7-13,16-17,24-28,41H,14-15,18H2,1-6H3/t24-,25+,26+,27+,28+,32-,33-,34-/m0/s1 |
| InChIKey | LISHAQDJMDPPOF-TVUKNPRMSA-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 | 653.683 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN1727 |