| SpectraBase Compound ID | LKIMAyzSEed |
|---|---|
| InChI | InChI=1S/C29H44O4/c1-8-22(5)28(31)24(7)29(32)23(6)18-20(3)12-10-13-21(4)19-25(9-2)16-17-26-14-11-15-27(30)33-26/h10-12,15-19,21-24,26,28,31H,8-9,13-14H2,1-7H3/b12-10+,17-16+,20-18+,25-19+/t21-,22+,23-,24+,26+,28-/m1/s1 |
| InChIKey | QPJTWGLLJWBDQW-MKWSYBJXSA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C29H44O4 |
| Exact Mass | 456.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4UliC13rrvE |
|---|---|
| Name | 5-EPI-CALLYSTATIN-A |
| Compound Number | 20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H44O4 |
| InChI | InChI=1S/C29H44O4/c1-8-22(5)28(31)24(7)29(32)23(6)18-20(3)12-10-13-21(4)19-25(9-2)16-17-26-14-11-15-27(30)33-26/h10-12,15-19,21-24,26,28,31H,8-9,13-14H2,1-7H3/b12-10+,17-16+,20-18+,25-19+/t21-,22+,23-,24+,26+,28-/m1/s1 |
| InChIKey | QPJTWGLLJWBDQW-MKWSYBJXSA-N |
| Literature Reference Author | N.MURAKAMI,M.SUGIMOTO,T.NAKAJIMA,M.KAWANISHI,Y.TSUTSUI,M.KOB AYASHI |
| Literature Reference Citation | BIOORG.MED.CHEM.,8,2651(2000) |
| Literature Reference DOI | 10.1016/S0968-0896(00)00199-1 |
| Molecular Weight | 456.666 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN20481 |