| SpectraBase Compound ID | 5GJF7uMh76i |
|---|---|
| InChI | InChI=1S/C40H64O12/c1-21-17-29-9-13-34(49-29)26(6)38(42)46-23(3)19-31-11-15-36(51-31)28(8)40(44)48-24(4)20-32-12-16-35(52-32)27(7)39(43)47-22(2)18-30-10-14-33(50-30)25(5)37(41)45-21/h21-36H,9-20H2,1-8H3/t21-,22-,23-,24+,25+,26+,27+,28+,29+,30-,31-,32+,33+,34-,35-,36+/m1/s1 |
| InChIKey | RMIXHJPMNBXMBU-VCIOWUQJSA-N |
| Mol Weight | 736.9 g/mol |
| Molecular Formula | C40H64O12 |
| Exact Mass | 736.439777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 88N3mmnWtFA |
|---|---|
| Name | NONACIN;REFERENCE-6E |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H64O12 |
| InChI | InChI=1S/C40H64O12/c1-21-17-29-9-13-34(49-29)26(6)38(42)46-23(3)19-31-11-15-36(51-31)28(8)40(44)48-24(4)20-32-12-16-35(52-32)27(7)39(43)47-22(2)18-30-10-14-33(50-30)25(5)37(41)45-21/h21-36H,9-20H2,1-8H3/t21-,22-,23-,24+,25+,26+,27+,28+,29+,30-,31-,32+,33+,34-,35-,36+/m1/s1 |
| InChIKey | RMIXHJPMNBXMBU-VCIOWUQJSA-N |
| Literature Reference Author | Y.WU,Y.P.SUN |
| Literature Reference Citation | ORG.LETTERS,8,2831(2006) |
| Literature Reference DOI | 10.1021/ol0609661 |
| Molecular Weight | 736.941 g/mol |
| Sample ID | 59696 |
| Solvent | CDCl3 |