| SpectraBase Compound ID | EfBxiTpF8HE |
|---|---|
| InChI | InChI=1S/C33H42O10/c1-16-24(43-28(38)20-12-10-9-11-13-20)23-27(41-18(3)35)31(7)14-21-22(15-30(5,6)25(21)37)32(31,8)29(42-19(4)36)33(23,39)26(16)40-17(2)34/h9-13,16,21-24,26-27,29,39H,14-15H2,1-8H3/t16-,21-,22-,23-,24+,26-,27-,29-,31+,32-,33+/m1/s1 |
| InChIKey | YGNZHEOASXYUAE-XYXVYCFYSA-N |
| Mol Weight | 598.7 g/mol |
| Molecular Formula | C33H42O10 |
| Exact Mass | 598.277798 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BXSKm4KCe22 |
|---|---|
| Name | SEGETALOL-1,5,14-TRIACETATE-3-BENZOATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H42O10 |
| InChI | InChI=1S/C33H42O10/c1-16-24(43-28(38)20-12-10-9-11-13-20)23-27(41-18(3)35)31(7)14-21-22(15-30(5,6)25(21)37)32(31,8)29(42-19(4)36)33(23,39)26(16)40-17(2)34/h9-13,16,21-24,26-27,29,39H,14-15H2,1-8H3/t16-,21-,22-,23-,24+,26-,27-,29-,31+,32-,33+/m1/s1 |
| InChIKey | YGNZHEOASXYUAE-XYXVYCFYSA-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 | 598.690 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU56 |