| SpectraBase Compound ID | 4znWhqaoNJP |
|---|---|
| InChI | InChI=1S/2C29H38O11/c2*1-8-12(2)25(34)40-20-22-28(7)24(38-15(5)31)19(33)21-27(6)16(13(3)9-17(32)23(27)37-14(4)30)10-18(39-26(20)35)29(21,22)11-36-28/h2*9,12,16,18-24,33H,8,10-11H2,1-7H3/t2*12?,16-,18+,19+,20+,21+,22-,23+,24-,27-,28-,29+/m00/s1 |
| InChIKey | JDLWLKPKAJRAKP-ZDZLDILDSA-N |
| Mol Weight | 1125.2 g/mol |
| Molecular Formula | C58H76O22 |
| Exact Mass | 1124.482824 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IECnDCfZAly |
|---|---|
| Name | SIMALIKALACTONE-D-1,12-DIACETATE |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H76O22 |
| InChI | InChI=1S/2C29H38O11/c2*1-8-12(2)25(34)40-20-22-28(7)24(38-15(5)31)19(33)21-27(6)16(13(3)9-17(32)23(27)37-14(4)30)10-18(39-26(20)35)29(21,22)11-36-28/h2*9,12,16,18-24,33H,8,10-11H2,1-7H3/t2*12?,16-,18+,19+,20+,21+,22-,23+,24-,27-,28-,29+/m00/s1 |
| InChIKey | JDLWLKPKAJRAKP-ZDZLDILDSA-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 | 1125.228 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU7362 |