| SpectraBase Compound ID | GqH5UjrNMPX |
|---|---|
| InChI | InChI=1S/C37H54O9/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30(38)42-28-21-26(24(2)3)23-35-36(45-35,34(40)41-6)33-37(44-33,46-35)31(25(4)5)29-22-27(28)32(39)43-29/h22,26,28-29,31,33H,2,4,7-21,23H2,1,3,5-6H3/t26-,28+,29-,31-,33-,35-,36-,37+/m1/s1 |
| InChIKey | QVTVESXGEJHBTQ-GGCBXPQUSA-N |
| Mol Weight | 642.8 g/mol |
| Molecular Formula | C37H54O9 |
| Exact Mass | 642.376783 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Eti3AQTbsXF |
|---|---|
| Name | LIPIDYL_PSEUDOPTERANE_F |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H54O9 |
| InChI | InChI=1S/C37H54O9/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30(38)42-28-21-26(24(2)3)23-35-36(45-35,34(40)41-6)33-37(44-33,46-35)31(25(4)5)29-22-27(28)32(39)43-29/h22,26,28-29,31,33H,2,4,7-21,23H2,1,3,5-6H3/t26-,28+,29-,31-,33-,35-,36-,37+/m1/s1 |
| InChIKey | QVTVESXGEJHBTQ-GGCBXPQUSA-N |
| Literature Reference Author | A.S.KATE,I.AUBRY,M.L.TREMBLAY,R.G.KERR |
| Literature Reference Citation | J.NAT.PROD.,71,1977(2008) |
| Literature Reference DOI | 10.1021/np800544b |
| Molecular Weight | 642.830 g/mol |
| Sample ID | 29404 |
| Solvent | CDCl3 |