| SpectraBase Compound ID | nkflDDH9CO |
|---|---|
| InChI | InChI=1S/C28H42O9/c1-18(2)13-14-21(36-27-26(34)25(33)24(32)22(17-29)37-27)20(4)11-9-10-19(3)16-28(5,35)15-8-6-7-12-23(30)31/h6-13,16,21-22,24-27,29,32-35H,14-15,17H2,1-5H3,(H,30,31)/b8-6+,10-9+,12-7+,19-16+,20-11+/t21-,22+,24+,25-,26-,27-,28+/m1/s1 |
| InChIKey | HTGFZKQPJXUSTN-ZEUIUCEXSA-N |
| Mol Weight | 522.6 g/mol |
| Molecular Formula | C28H42O9 |
| Exact Mass | 522.282883 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CSNQNZsalFQ |
|---|---|
| Name | 14-O-ALPHA-D-MANNOPYRANOSYL-(2E,4E,7R,8E,10E,12E,14S)-7,9,13,17-TETRAMETHYL-7,14-DIHYDROXY-2,4,8,10,12,16-OCTADECAHEXAENOIC-ACID |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H42O9 |
| InChI | InChI=1S/C28H42O9/c1-18(2)13-14-21(36-27-26(34)25(33)24(32)22(17-29)37-27)20(4)11-9-10-19(3)16-28(5,35)15-8-6-7-12-23(30)31/h6-13,16,21-22,24-27,29,32-35H,14-15,17H2,1-5H3,(H,30,31)/b8-6+,10-9+,12-7+,19-16+,20-11+/t21-,22+,24+,25-,26-,27-,28+/m1/s1 |
| InChIKey | HTGFZKQPJXUSTN-ZEUIUCEXSA-N |
| Literature Reference Author | T.REZANKA |
| Literature Reference Citation | PHYTOCHEM.,60,639(2002) |
| Literature Reference DOI | 10.1016/S0031-9422(02)00159-0 |
| Molecular Weight | 522.636 g/mol |
| Solvent | C5D5N:CD3OD=1:1 |
| Source File Reference | UWMS1762 |