| SpectraBase Compound ID | GmPrsGBDWnv |
|---|---|
| InChI | InChI=1S/C44H60O10/c1-25-17-20-44(38(48)49)22-21-41(7)29(36(44)43(25,9)50)13-15-34-40(6)24-32(53-27(3)46)37(39(4,5)33(40)18-19-42(34,41)8)54-35(47)16-12-28-11-14-30(52-26(2)45)31(23-28)51-10/h11-14,16,23,25,32-34,36-37,50H,15,17-22,24H2,1-10H3,(H,48,49)/b16-12+/t25-,32-,33+,34-,36-,37-,40?,41?,42?,43-,44+/m1/s1 |
| InChIKey | OWLZYHBLVXZVSL-BIAMYADSSA-N |
| Mol Weight | 749.0 g/mol |
| Molecular Formula | C44H60O10 |
| Exact Mass | 748.418648 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IVzQDH47M6t |
|---|---|
| Name | 2,4'-DIACETYL-3-O-TRANS-FERULOYL-EUSCAPHIC_ACID |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H60O10 |
| InChI | InChI=1S/C44H60O10/c1-25-17-20-44(38(48)49)22-21-41(7)29(36(44)43(25,9)50)13-15-34-40(6)24-32(53-27(3)46)37(39(4,5)33(40)18-19-42(34,41)8)54-35(47)16-12-28-11-14-30(52-26(2)45)31(23-28)51-10/h11-14,16,23,25,32-34,36-37,50H,15,17-22,24H2,1-10H3,(H,48,49)/b16-12+/t25-,32-,33+,34-,36-,37-,40?,41?,42?,43-,44+/m1/s1 |
| InChIKey | OWLZYHBLVXZVSL-BIAMYADSSA-N |
| Literature Reference Author | M.SHIMIZU,N.UEMITSU,M.SHIROTA,K.MATSUMOTO,Y.TEZUKA |
| Literature Reference Citation | CHEM.PHARM.BULL.,44,2181(1996) |
| Literature Reference DOI | 10.1248/cpb.44.2181 |
| Molecular Weight | 748.954 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ17356 |