| SpectraBase Compound ID | jHbzDh86zf |
|---|---|
| InChI | InChI=1S/C25H34O9/c1-6-10(2)21(30)34-16-18-24(5)20(29)15(27)17-23(4)12(11(3)7-13(26)19(23)28)8-14(33-22(16)31)25(17,18)9-32-24/h7,10,12,14-20,27-29H,6,8-9H2,1-5H3/t10?,12?,14?,15-,16?,17?,18?,19-,20+,23+,24+,25-/m1/s1 |
| InChIKey | OKIKYYZNNZCZRX-LLSJKWTFSA-N |
| Mol Weight | 478.5 g/mol |
| Molecular Formula | C25H34O9 |
| Exact Mass | 478.220283 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4iHmifY5Scs |
|---|---|
| Name | SIMALIKALACTONE_D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H34O9 |
| InChI | InChI=1S/C25H34O9/c1-6-10(2)21(30)34-16-18-24(5)20(29)15(27)17-23(4)12(11(3)7-13(26)19(23)28)8-14(33-22(16)31)25(17,18)9-32-24/h7,10,12,14-20,27-29H,6,8-9H2,1-5H3/t10?,12?,14?,15-,16?,17?,18?,19-,20+,23+,24+,25-/m1/s1 |
| InChIKey | OKIKYYZNNZCZRX-LLSJKWTFSA-N |
| Literature Reference Author | S.APERS,K.CIMANGA,D.VANDEN_BERGHE,E.VAN_MEENEN,A.VLIETINCK,L .PIETERS |
| Literature Reference Citation | PLANTA.MED.,68,20(2002) |
| Literature Reference DOI | 10.1055/s-2002-19870 |
| Molecular Weight | 478.540 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UIAP1652 |