| SpectraBase Compound ID | 9OwGZY5EYlp |
|---|---|
| InChI | InChI=1S/C38H46N4O2/c1-3-22-17-41-12-11-38-30-14-23(8-9-32(30)40-35(38)27(19-43)24(22)15-33(38)41)21(2)26-18-42-13-10-37-29-6-4-5-7-31(29)39-36(37)28(20-44)25(26)16-34(37)42/h3-9,14,18,21,24-25,27-28,33-36,39-40,43-44H,10-13,15-17,19-20H2,1-2H3/b22-3+/t21?,24-,25+,27+,28+,33-,34+,35-,36+,37-,38+/m0/s1 |
| InChIKey | GJYRKYFELCXWRD-NKPWIPBDSA-N |
| Mol Weight | 590.8 g/mol |
| Molecular Formula | C38H46N4O2 |
| Exact Mass | 590.362077 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LptQGVT8oOv |
|---|---|
| Name | PANGANENSINE-X |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H46N4O2 |
| InChI | InChI=1S/C38H46N4O2/c1-3-22-17-41-12-11-38-30-14-23(8-9-32(30)40-35(38)27(19-43)24(22)15-33(38)41)21(2)26-18-42-13-10-37-29-6-4-5-7-31(29)39-36(37)28(20-44)25(26)16-34(37)42/h3-9,14,18,21,24-25,27-28,33-36,39-40,43-44H,10-13,15-17,19-20H2,1-2H3/b22-3+/t21?,24-,25+,27+,28+,33-,34+,35-,36+,37-,38+/m0/s1 |
| InChIKey | GJYRKYFELCXWRD-NKPWIPBDSA-N |
| Literature Reference Author | J.M.NUZILLARD,P.THEPENIER,M.J.JACQUIER,G.MASSIOT,L.L.MEN-OLI VIER,C.DELAUDE |
| Literature Reference Citation | PHYTOCHEM.,43,897(1996) |
| Literature Reference DOI | 10.1016/0031-9422(96)00362-7 |
| Molecular Weight | 590.809 g/mol |
| Solvent | Unknown |
| Source File Reference | UWMS2252 |