| SpectraBase Compound ID | FDzlEB1WuCW |
|---|---|
| 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+/m1/s1 |
| InChIKey | OPUYCSSSUMWZSP-XZDKVDQVSA-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 | JFG60KTaoil |
|---|---|
| Name | Folicangine |
| CAS Registry Number | 32340-00-4 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. 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+/m1/s1 |
| InChIKey | OPUYCSSSUMWZSP-XZDKVDQVSA-N |
| Instrument Name | Varian XL-100 |
| Literature Reference | Y. Rolland, N. Kunesch, E. Wenkert, J. Org. Chem. 41, 3270 (1976). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |