| SpectraBase Compound ID | 8r4NvnWMa8u |
|---|---|
| InChI | InChI=1S/2C25H34O9/c2*1-6-10(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/h2*7,10,12,14-20,27-29H,6,8-9H2,1-5H3/t2*10?,12-,14+,15+,16+,17+,18-,19+,20-,23-,24-,25+/m00/s1 |
| InChIKey | DEIHGSWJFZYCAZ-VDMPFEJHSA-N |
| Mol Weight | 957.1 g/mol |
| Molecular Formula | C50H68O18 |
| Exact Mass | 956.440565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BVjlsWkLKNH |
|---|---|
| Name | SIMALIKALACTONE-D |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H68O18 |
| InChI | InChI=1S/2C25H34O9/c2*1-6-10(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/h2*7,10,12,14-20,27-29H,6,8-9H2,1-5H3/t2*10?,12-,14+,15+,16+,17+,18-,19+,20-,23-,24-,25+/m00/s1 |
| InChIKey | DEIHGSWJFZYCAZ-VDMPFEJHSA-N |
| Literature Reference Author | E.R.FO,J.B.FERNANDES,P.C.VIEIRA,M.F.D.G.F.D.SILVA |
| Literature Reference Citation | PHYTOCHEM.,34,501(1993) |
| Literature Reference DOI | 10.1016/S0031-9422(05)80098-6 |
| Molecular Weight | 957.079 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU7361 |