| SpectraBase Compound ID | LBMHlXalq2O |
|---|---|
| InChI | InChI=1S/C28H40O11/c1-12-19(33)11-21(37-15(4)30)27(9)22(12)23(38-16(5)31)18-10-20(36-14(3)29)13(2)28(35,26(18,7)8)24(34)25(27)39-17(6)32/h18-19,21-25,33-35H,1,10-11H2,2-9H3/t18-,19-,21-,22?,23+,24-,25-,27+,28-/m0/s1 |
| InChIKey | LOEQAIIXDSNYRZ-YDRDZBMJSA-N |
| Mol Weight | 552.6 g/mol |
| Molecular Formula | C28H40O11 |
| Exact Mass | 552.257062 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | bIGdXktCg9 |
|---|---|
| Name | MAJOR-CONFORMER |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H40O11 |
| InChI | InChI=1S/C28H40O11/c1-12-19(33)11-21(37-15(4)30)27(9)22(12)23(38-16(5)31)18-10-20(36-14(3)29)13(2)28(35,26(18,7)8)24(34)25(27)39-17(6)32/h18-19,21-25,33-35H,1,10-11H2,2-9H3/t18-,19-,21-,22?,23+,24-,25-,27+,28-/m0/s1 |
| InChIKey | LOEQAIIXDSNYRZ-YDRDZBMJSA-N |
| Literature Reference Author | Q.W.SHI,F.SAURIOL,Y.PARK,V.H.SMITH,G.LORD,L.O.ZAMIR |
| Literature Reference Citation | MAGN.RES.CHEM.,43,798(2005) |
| Literature Reference DOI | 10.1002/mrc.1630 |
| Molecular Weight | 552.619 g/mol |
| Sample ID | 32751 |
| Solvent | CDCl3 |