| SpectraBase Compound ID | 2VHjXwXv4Fq |
|---|---|
| InChI | InChI=1S/C34H39NO11/c1-19(36)42-26-28(45-30(40)22-13-10-16-35-18-22)32(5)24(44-25(38)15-14-21-11-8-7-9-12-21)17-23-27(39)34(32,46-31(23,3)4)33(6,41)29(26)43-20(2)37/h7-16,18,23-24,26-29,39,41H,17H2,1-6H3/b15-14+/t23-,24+,26+,27-,28+,29+,32-,33+,34-/m1/s1 |
| InChIKey | KDYZADOZAPBKEK-WFLXSDPRSA-N |
| Mol Weight | 637.7 g/mol |
| Molecular Formula | C34H39NO11 |
| Exact Mass | 637.252311 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9nKZ3gSMQGc |
|---|---|
| Name | 9-BETA-CINNAMOYLOXY-2-BETA,3-BETA-DIACETOXY-6-BETA-HYDROXY-1-ALPHA-NICOTINOYLOXY-DIHYDRO-BETA-AGAROFURAN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H39NO11 |
| InChI | InChI=1S/C34H39NO11/c1-19(36)42-26-28(45-30(40)22-13-10-16-35-18-22)32(5)24(44-25(38)15-14-21-11-8-7-9-12-21)17-23-27(39)34(32,46-31(23,3)4)33(6,41)29(26)43-20(2)37/h7-16,18,23-24,26-29,39,41H,17H2,1-6H3/b15-14+/t23-,24+,26+,27-,28+,29+,32-,33+,34-/m1/s1 |
| InChIKey | KDYZADOZAPBKEK-WFLXSDPRSA-N |
| Literature Reference Author | A.G.GONZALEZ,F.M.RODRIGUEZ,I.L.BAZZOCCHI,A.G.RAVELO |
| Literature Reference Citation | J.NAT.PROD.,63,48(2000) |
| Literature Reference DOI | 10.1021/np990322k |
| Molecular Weight | 637.684 g/mol |
| Solvent | CDCl3 |