| SpectraBase Compound ID | GKcjLz1v9DG |
|---|---|
| InChI | InChI=1S/C28H40O14/c1-13(29)33-12-19-21(35-15(3)31)23(36-16(4)32)20(34-14(2)30)17(37-19)10-9-11-18-22-24(40-27(5,6)39-22)25-26(38-18)42-28(7,8)41-25/h9,11,17-26H,10,12H2,1-8H3/b11-9+/t17-,18-,19-,20+,21+,22+,23-,24+,25-,26-/m0/s1 |
| InChIKey | PNYGGTAQUVGFFF-HDHPEANNSA-N |
| Mol Weight | 600.6 g/mol |
| Molecular Formula | C28H40O14 |
| Exact Mass | 600.241806 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7TL7yKjgV6H |
|---|---|
| Name | PNYGGTAQUVGFFF-HDHPEANNSA-N |
| Compound Number | 28-TRANS |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H40O14 |
| InChI | InChI=1S/C28H40O14/c1-13(29)33-12-19-21(35-15(3)31)23(36-16(4)32)20(34-14(2)30)17(37-19)10-9-11-18-22-24(40-27(5,6)39-22)25-26(38-18)42-28(7,8)41-25/h9,11,17-26H,10,12H2,1-8H3/b11-9+/t17-,18-,19-,20+,21+,22+,23-,24+,25-,26-/m0/s1 |
| InChIKey | PNYGGTAQUVGFFF-HDHPEANNSA-N |
| Literature Reference Author | R.ROY,R.DOMINIQUE,S.K.DAS |
| Literature Reference Citation | J.ORG.CHEM.,64,5408(1999) |
| Literature Reference DOI | 10.1021/jo9900984 |
| Molecular Weight | 600.617 g/mol |
| Sample ID | 41268 |
| Solvent | CDCl3 |