| SpectraBase Compound ID | 3sJA0jQrddY |
|---|---|
| InChI | InChI=1S/C34H48N2O9/c1-7-36-16-31(17-45-29(38)19-10-8-9-11-22(19)35-18(2)37)13-12-24(42-4)33-21-14-20-23(41-3)15-32(39,25(21)26(20)43-5)34(40,30(33)36)28(44-6)27(31)33/h8-11,20-21,23-28,30,39-40H,7,12-17H2,1-6H3,(H,35,37)/t20-,21?,23+,24+,25?,26+,27-,28+,30?,31+,32-,33+,34?/m1/s1 |
| InChIKey | NUXFDCYXMLVOFU-HMSYXWCCSA-N |
| Mol Weight | 628.8 g/mol |
| Molecular Formula | C34H48N2O9 |
| Exact Mass | 628.335981 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5I2BYlxUask |
|---|---|
| Name | AJACINE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H48N2O9 |
| InChI | InChI=1S/C34H48N2O9/c1-7-36-16-31(17-45-29(38)19-10-8-9-11-22(19)35-18(2)37)13-12-24(42-4)33-21-14-20-23(41-3)15-32(39,25(21)26(20)43-5)34(40,30(33)36)28(44-6)27(31)33/h8-11,20-21,23-28,30,39-40H,7,12-17H2,1-6H3,(H,35,37)/t20-,21?,23+,24+,25?,26+,27-,28+,30?,31+,32-,33+,34?/m1/s1 |
| InChIKey | NUXFDCYXMLVOFU-HMSYXWCCSA-N |
| Literature Reference Author | J.LU,H.K.DESAI,S.A.ROSS,H.M.SAYED,S.W.PELLETIER |
| Literature Reference Citation | J.NAT.PROD.,56,2098(1993) |
| Literature Reference DOI | 10.1021/np50102a011 |
| Molecular Weight | 628.763 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS15612 |