| SpectraBase Compound ID | 3dPJxW0B9SG |
|---|---|
| InChI | InChI=1S/C39H47N5O6/c1-5-25(2)34-37(46)41-20-18-28-24-29(16-17-32(28)49-4)50-33-19-21-44(35(33)38(47)43-34)39(48)31(23-27-14-10-7-11-15-27)42-36(45)30(40-3)22-26-12-8-6-9-13-26/h6-18,20,24-25,30-31,33-35,40H,5,19,21-23H2,1-4H3,(H,41,46)(H,42,45)(H,43,47)/b20-18-/t25?,30-,31?,33-,34-,35?/m1/s1 |
| InChIKey | SNWHKTIWFKSSGY-JYSXKVRWSA-N |
| Mol Weight | 681.8 g/mol |
| Molecular Formula | C39H47N5O6 |
| Exact Mass | 681.352634 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DJG7fNOXyep |
|---|---|
| Name | NUMMULARINE-H |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H47N5O6 |
| InChI | InChI=1S/C39H47N5O6/c1-5-25(2)34-37(46)41-20-18-28-24-29(16-17-32(28)49-4)50-33-19-21-44(35(33)38(47)43-34)39(48)31(23-27-14-10-7-11-15-27)42-36(45)30(40-3)22-26-12-8-6-9-13-26/h6-18,20,24-25,30-31,33-35,40H,5,19,21-23H2,1-4H3,(H,41,46)(H,42,45)(H,43,47)/b20-18-/t25?,30-,31?,33-,34-,35?/m1/s1 |
| InChIKey | SNWHKTIWFKSSGY-JYSXKVRWSA-N |
| Literature Reference Author | S.S.LEE,W.C.SU,K.C.S.C.LIU |
| Literature Reference Citation | PHYTOCHEM.,58,1271(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00234-5 |
| Molecular Weight | 681.832 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU3172 |