| SpectraBase Compound ID | 4p15Yr8FPFC |
|---|---|
| InChI | InChI=1S/C42H48N4O4/c1-3-39-19-24-18-38(23-46-29-11-7-5-9-27(29)42(32(24)46)13-15-44(35(39)42)21-30-33(39)50-30)22-45-16-12-41-26-8-4-6-10-28(26)43-31(41)25(34(47)48-2)20-40(36(41)45)14-17-49-37(38)40/h4-11,24,30,32-33,35-37,43H,3,12-23H2,1-2H3/t24-,30-,32+,33-,35+,36+,37+,38+,39-,40+,41+,42+/m1/s1 |
| InChIKey | BCFNGCHELGNCOO-DXTJESGOSA-N |
| Mol Weight | 672.9 g/mol |
| Molecular Formula | C42H48N4O4 |
| Exact Mass | 672.367556 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EaUfgcmKsc6 |
|---|---|
| Name | VOAFOLINE |
| CAS Registry Number | 31947-67-8 |
| Compound Number | 4B |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H48N4O4 |
| InChI | InChI=1S/C42H48N4O4/c1-3-39-19-24-18-38(23-46-29-11-7-5-9-27(29)42(32(24)46)13-15-44(35(39)42)21-30-33(39)50-30)22-45-16-12-41-26-8-4-6-10-28(26)43-31(41)25(34(47)48-2)20-40(36(41)45)14-17-49-37(38)40/h4-11,24,30,32-33,35-37,43H,3,12-23H2,1-2H3/t24-,30-,32+,33-,35+,36+,37+,38+,39-,40+,41+,42+/m1/s1 |
| InChIKey | BCFNGCHELGNCOO-DXTJESGOSA-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 | 672.868 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRK2498 |