| SpectraBase Compound ID | 3woUYFjO0rJ |
|---|---|
| InChI | InChI=1S/C36H54O8/c1-21(2)32-19-23(4)36-26-29(32)42-34(43-32,44-36)18-16-14-12-10-8-6-7-9-11-13-15-17-22(3)25-24(5)28(38)35(40,27(25)36)31(39)33(20-37)30(26)41-33/h16,18,22-27,29-31,37,39-40H,1,6-15,17,19-20H2,2-5H3/b18-16+/t22-,23-,24+,25+,26-,27-,29-,30+,31-,32-,33+,34+,35-,36-/m1/s1 |
| InChIKey | LRUSLXOJTZXBCJ-KLNRNAEDSA-N |
| Mol Weight | 614.8 g/mol |
| Molecular Formula | C36H54O8 |
| Exact Mass | 614.381869 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LOr5Yqn14se |
|---|---|
| Name | KIRKININE-B |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H54O8 |
| InChI | InChI=1S/C36H54O8/c1-21(2)32-19-23(4)36-26-29(32)42-34(43-32,44-36)18-16-14-12-10-8-6-7-9-11-13-15-17-22(3)25-24(5)28(38)35(40,27(25)36)31(39)33(20-37)30(26)41-33/h16,18,22-27,29-31,37,39-40H,1,6-15,17,19-20H2,2-5H3/b18-16+/t22-,23-,24+,25+,26-,27-,29-,30+,31-,32-,33+,34+,35-,36-/m1/s1 |
| InChIKey | LRUSLXOJTZXBCJ-KLNRNAEDSA-N |
| Literature Reference Author | H.B.WANG,L.P.LIU,X.Y.WANG |
| Literature Reference Citation | MAGN.RES.CHEM.,51,580(2013) |
| Literature Reference DOI | 10.1002/mrc.3978 |
| Molecular Weight | 614.820 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR13465 |