| SpectraBase Compound ID | GMxpedUXD |
|---|---|
| InChI | InChI=1S/C37H56O4/c1-9-10-11-15-28-23-33(38)30(18-16-26(6)14-12-13-24(2)3)35(39)34(28)36(40)41-37(8)21-20-29(25(4)5)31-22-27(7)17-19-32(31)37/h13,16,22-23,25,29,31-32,38-39H,9-12,14-15,17-21H2,1-8H3/b26-16+/t29-,31-,32+,37-/m0/s1 |
| InChIKey | RIKKBBVWCNNHHE-HTKOZGHBSA-N |
| Mol Weight | 564.9 g/mol |
| Molecular Formula | C37H56O4 |
| Exact Mass | 564.41786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HZQ4yHTzaXh |
|---|---|
| Name | ALPHA-CADINYL_CANNABIGEROLATE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H56O4 |
| InChI | InChI=1S/C37H56O4/c1-9-10-11-15-28-23-33(38)30(18-16-26(6)14-12-13-24(2)3)35(39)34(28)36(40)41-37(8)21-20-29(25(4)5)31-22-27(7)17-19-32(31)37/h13,16,22-23,25,29,31-32,38-39H,9-12,14-15,17-21H2,1-8H3/b26-16+/t29-,31-,32+,37-/m0/s1 |
| InChIKey | RIKKBBVWCNNHHE-HTKOZGHBSA-N |
| Literature Reference Author | S.A.AHMED,S.A.ROSS,D.SLADE,M.M.RADWAN,F.ZULFIQAR,M.A.ELSOHLY |
| Literature Reference Citation | J.NAT.PROD.,71,536(2008) |
| Literature Reference DOI | 10.1021/np070454a |
| Molecular Weight | 564.849 g/mol |
| Sample ID | 27561 |
| Solvent | CDCl3 |