| SpectraBase Compound ID | BxUNby2SyN3 |
|---|---|
| InChI | InChI=1S/C42H46N4O5/c1-3-37-18-23-19-39-22-46-28-11-7-5-9-26(28)41(13-15-44(34(37)41)21-29-31(37)50-29)42(23,46)51-36(39)45-16-12-40-25-8-4-6-10-27(25)43-30(40)24(32(47)48-2)20-38(33(40)45)14-17-49-35(38)39/h4-11,23,29,31,33-36,43H,3,12-22H2,1-2H3/t23-,29+,31+,33?,34-,35+,36+,37+,38-,39+,40-,41+,42+/m0/s1 |
| InChIKey | OPUYCSSSUMWZSP-NZYJSZPYSA-N |
| Mol Weight | 686.9 g/mol |
| Molecular Formula | C42H46N4O5 |
| Exact Mass | 686.346821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JRrN4ZVEju3 |
|---|---|
| Name | FOLICANGINE |
| CAS Registry Number | 32340-00-4 |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H46N4O5 |
| InChI | InChI=1S/C42H46N4O5/c1-3-37-18-23-19-39-22-46-28-11-7-5-9-26(28)41(13-15-44(34(37)41)21-29-31(37)50-29)42(23,46)51-36(39)45-16-12-40-25-8-4-6-10-27(25)43-30(40)24(32(47)48-2)20-38(33(40)45)14-17-49-35(38)39/h4-11,23,29,31,33-36,43H,3,12-22H2,1-2H3/t23-,29+,31+,33?,34-,35+,36+,37+,38-,39+,40-,41+,42+/m0/s1 |
| InChIKey | OPUYCSSSUMWZSP-NZYJSZPYSA-N |
| Literature Reference Author | Y.ROLLAND,N.KUNESCH,J.POISSON,E.W.HAGAMAN,F.M.SCHELL,E.WENKE RT |
| Literature Reference Citation | J.ORG.CHEM.,41,3270(1976) |
| Literature Reference DOI | 10.1021/jo00882a013 |
| Molecular Weight | 686.851 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRK2504 |