| SpectraBase Compound ID | 1YS6nW8EdAi |
|---|---|
| InChI | InChI=1S/C29H38O8/c1-14-20(37-24(33)16-10-8-7-9-11-16)19-23(36-15(2)30)27(5)12-17-18(13-26(3,4)22(17)32)28(27,6)25(34)29(19,35)21(14)31/h7-11,14,17-21,23,25,31,34-35H,12-13H2,1-6H3/t14-,17-,18-,19-,20+,21-,23-,25-,27+,28-,29+/m1/s1 |
| InChIKey | IKPGGGOSOMVGEC-PSRMDMKJSA-N |
| Mol Weight | 514.6 g/mol |
| Molecular Formula | C29H38O8 |
| Exact Mass | 514.256668 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I4QfiBLmzcJ |
|---|---|
| Name | SEGETALOL-5-ACETATE-3-BENZOATE |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H38O8 |
| InChI | InChI=1S/C29H38O8/c1-14-20(37-24(33)16-10-8-7-9-11-16)19-23(36-15(2)30)27(5)12-17-18(13-26(3,4)22(17)32)28(27,6)25(34)29(19,35)21(14)31/h7-11,14,17-21,23,25,31,34-35H,12-13H2,1-6H3/t14-,17-,18-,19-,20+,21-,23-,25-,27+,28-,29+/m1/s1 |
| InChIKey | IKPGGGOSOMVGEC-PSRMDMKJSA-N |
| Literature Reference Author | M.J.U.FERREIRA,A.M.MADUREIRA,J.R.ASCENSO |
| Literature Reference Citation | PHYTOCHEM.,49,179(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)01011-X |
| Molecular Weight | 514.616 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU57 |