| SpectraBase Compound ID | 1toxLd2mj0G |
|---|---|
| InChI | InChI=1S/C31H46O6/c1-20(2)30-28-13-12-26(19-35-23(5)32)17-27(36-24(6)33)16-22(4)11-9-10-21(3)14-15-31(28,8)18-29(30)37-25(7)34/h11-13,17,20,27-30H,3,9-10,14-16,18-19H2,1-2,4-8H3/b13-12-,22-11+,26-17-/t27-,28+,29+,30+,31+/m0/s1 |
| InChIKey | NUCXDBLVHHHGHF-MJCWPGGDSA-N |
| Mol Weight | 514.7 g/mol |
| Molecular Formula | C31H46O6 |
| Exact Mass | 514.329439 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HFxxGSZD2oz |
|---|---|
| Name | KOBIIN-TRIACETATE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H46O6 |
| InChI | InChI=1S/C31H46O6/c1-20(2)30-28-13-12-26(19-35-23(5)32)17-27(36-24(6)33)16-22(4)11-9-10-21(3)14-15-31(28,8)18-29(30)37-25(7)34/h11-13,17,20,27-30H,3,9-10,14-16,18-19H2,1-2,4-8H3/b13-12-,22-11+,26-17-/t27-,28+,29+,30+,31+/m0/s1 |
| InChIKey | NUCXDBLVHHHGHF-MJCWPGGDSA-N |
| Literature Reference Author | H.FUJIMOTO,Y.SATOH,M.YAMAZAKI |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,211(1998) |
| Literature Reference DOI | 10.1248/cpb.46.211 |
| Molecular Weight | 514.703 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS6188 |