| SpectraBase Compound ID | IrsRk4LukQX |
|---|---|
| InChI | InChI=1S/C32H44N2O9/c1-6-34-27-31-18-13-17-20(39-2)14-30(37,22(18)23(17)41-4)32(27,38)25(42-5)24(31)29(28(34)36,12-11-21(31)40-3)15-43-26(35)16-9-7-8-10-19(16)33/h7-10,17-18,20-25,27,37-38H,6,11-15,33H2,1-5H3/t17-,18-,20+,21+,22-,23+,24-,25+,27+,29+,30-,31+,32+/m1/s1 |
| InChIKey | ABHLLCOMIOJWIA-BQQZRIQDSA-N |
| Mol Weight | 600.7 g/mol |
| Molecular Formula | C32H44N2O9 |
| Exact Mass | 600.304681 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K7mHzmT99JI |
|---|---|
| Name | PACIFILINE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H44N2O9 |
| InChI | InChI=1S/C32H44N2O9/c1-6-34-27-31-18-13-17-20(39-2)14-30(37,22(18)23(17)41-4)32(27,38)25(42-5)24(31)29(28(34)36,12-11-21(31)40-3)15-43-26(35)16-9-7-8-10-19(16)33/h7-10,17-18,20-25,27,37-38H,6,11-15,33H2,1-5H3/t17-,18-,20+,21+,22-,23+,24-,25+,27+,29+,30-,31+,32+/m1/s1 |
| InChIKey | ABHLLCOMIOJWIA-BQQZRIQDSA-N |
| Literature Reference Author | K.WADA,T.YAMAMOTO,H.BANDO,N.KAWAHARA |
| Literature Reference Citation | PHYTOCHEM.,31,2135(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)80380-W |
| Molecular Weight | 600.709 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN6148 |