SpectraBase Compound ID | 4mgeuoH4Y8V |
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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-IJNFAENRSA-N |
Mol Weight | 522.6 g/mol |
Molecular Formula | C28H42O9 |
Exact Mass | 522.282883 g/mol |
SpectraBase Spectrum ID | 9XIqlAmAwaN |
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Name | 14-O-ALPHA-D-GLUCOPYRANOSYL-(2E,4E,7S,8E,10E,12E,14S)-7,9,13,17-TETRAMETHYL-7,14-DIHYDROXY-2,4,8,10,12,16-OCTADECAHEXAENOIC-ACID |
Compound Number | 3 |
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-IJNFAENRSA-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 | UWMS1761 |