| SpectraBase Compound ID | DrZLTtxmDwz |
|---|---|
| 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+/m0/s1 |
| InChIKey | OKIKYYZNNZCZRX-QIMXXMOASA-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 | PWn2lkdFmm |
|---|---|
| Name | SIMALIKALACTONE-D |
| Compound Number | 5 |
| 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+/m0/s1 |
| InChIKey | OKIKYYZNNZCZRX-QIMXXMOASA-N |
| Literature Reference Author | A.OZEKI,Y.HITOTSUYANAGI,E.HASHIMOTO,H.ITOKAWA,K.TAKEYA,S.D.M .ALVES |
| Literature Reference Citation | J.NAT.PROD.,61,776(1998) |
| Literature Reference DOI | 10.1021/np980023f |
| Molecular Weight | 478.540 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCP559 |