| SpectraBase Compound ID | J9Uu7ngDrdq |
|---|---|
| InChI | InChI=1S/C39H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34(40)47-37-30-25-33(46-39(30)43)35(27(4)5)32-24-29(38(42)44-6)31(45-32)23-28(26(2)3)36(37)41/h14-15,24-25,28,33,35-37,41H,2,4,7-13,16-23H2,1,3,5-6H3/b15-14+/t28-,33-,35+,36-,37-/m1/s1 |
| InChIKey | ONLCMSPNILUOSH-PAGZFDNVSA-N |
| Mol Weight | 652.9 g/mol |
| Molecular Formula | C39H56O8 |
| Exact Mass | 652.397519 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hm9sw92XAIl |
|---|---|
| Name | LIPIDYL_PSEUDOPTERANE_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H56O8 |
| InChI | InChI=1S/C39H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34(40)47-37-30-25-33(46-39(30)43)35(27(4)5)32-24-29(38(42)44-6)31(45-32)23-28(26(2)3)36(37)41/h14-15,24-25,28,33,35-37,41H,2,4,7-13,16-23H2,1,3,5-6H3/b15-14+/t28-,33-,35+,36-,37-/m1/s1 |
| InChIKey | ONLCMSPNILUOSH-PAGZFDNVSA-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 | 652.869 g/mol |
| Sample ID | 29400 |
| Solvent | CDCl3 |