| SpectraBase Compound ID | 14TS9iKq4lG |
|---|---|
| InChI | InChI=1S/C42H48O8/c1-28(2)16-15-27-42(5,34-25-23-29(3)24-26-34)50-41-37(49-40(45)33-21-13-8-14-22-33)36(48-39(44)32-19-11-7-12-20-32)35(30(4)46-41)47-38(43)31-17-9-6-10-18-31/h6-14,16-23,30,34-37,41H,15,24-27H2,1-5H3/t30-,34-,35-,36+,37+,41-,42-/m0/s1 |
| InChIKey | HPCCEYYWSQNPCX-OVRTZKFLSA-N |
| Mol Weight | 680.8 g/mol |
| Molecular Formula | C42H48O8 |
| Exact Mass | 680.334918 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EQtT7iu7dm9 |
|---|---|
| Name | ALPHA-BISABOLOL-2,3,4-TRI-O-BENZOYL-ALPHA-L-RHAMNOPYRANOSIDE |
| Compound Number | 6A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H48O8 |
| InChI | InChI=1S/C42H48O8/c1-28(2)16-15-27-42(5,34-25-23-29(3)24-26-34)50-41-37(49-40(45)33-21-13-8-14-22-33)36(48-39(44)32-19-11-7-12-20-32)35(30(4)46-41)47-38(43)31-17-9-6-10-18-31/h6-14,16-23,30,34-37,41H,15,24-27H2,1-5H3/t30-,34-,35-,36+,37+,41-,42-/m0/s1 |
| InChIKey | HPCCEYYWSQNPCX-OVRTZKFLSA-N |
| Literature Reference Author | M.PIOCHON,J.LEGAULT,C.GAUTHIER,A.PICHETTE |
| Literature Reference Citation | PHYTOCHEM.,70,228(2009) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.11.013 |
| Molecular Weight | 680.838 g/mol |
| Sample ID | 63980 |
| Solvent | CDCl3 |