![(6S)-2-trans-2,6-DIMETHYL-6-[3-O(B-D-GLUCOPYRANOSYL)-4-O-(2-METHYLBUTYROYL)-A-L-ARABINOPYRANOSYLOXY]-2,7-OCTADIENOIC ACID](/api/spectrum/25O7Z6SJsjo/structure.png?h=300&w=458 "(6S)-2-trans-2,6-DIMETHYL-6-[3-O(B-D-GLUCOPYRANOSYL)-4-O-(2-METHYLBUTYROYL)-A-L-ARABINOPYRANOSYLOXY]-2,7-OCTADIENOIC ACID")
| SpectraBase Compound ID | I7OLkpW5qrN |
|---|---|
| InChI | InChI=1S/C27H44O13/c1-7-14(3)24(34)37-17-13-36-25(40-27(5,8-2)11-9-10-15(4)23(33)35-6)21(32)22(17)39-26-20(31)19(30)18(29)16(12-28)38-26/h8,10,14,16-22,25-26,28-32H,2,7,9,11-13H2,1,3-6H3/b15-10-/t14?,16-,17-,18-,19+,20-,21+,22-,25+,26+,27+/m0/s1 |
| InChIKey | NQVFKUYYHUGRNA-SDFVROETSA-N |
| Mol Weight | 576.6 g/mol |
| Molecular Formula | C27H44O13 |
| Exact Mass | 576.278191 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 25O7Z6SJsjo |
|---|---|
| Name | (6S)-2-trans-2,6-DIMETHYL-6-[3-O(B-D-GLUCOPYRANOSYL)-4-O-(2-METHYLBUTYROYL)-A-L-ARABINOPYRANOSYLOXY]-2,7-OCTADIENOIC ACID |
| Compound Number | 19 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C27H44O13/c1-7-14(3)24(34)37-17-13-36-25(40-27(5,8-2)11-9-10-15(4)23(33)35-6)21(32)22(17)39-26-20(31)19(30)18(29)16(12-28)38-26/h8,10,14,16-22,25-26,28-32H,2,7,9,11-13H2,1,3-6H3/b15-10-/t14?,16-,17-,18-,19+,20-,21+,22-,25+,26+,27+/m0/s1 |
| InChIKey | NQVFKUYYHUGRNA-SDFVROETSA-N |
| Literature Reference | A.UR-RAHMAN,V.U.AHMAD NAT.PROD.VOL.1 |
| Solvent | Pyridine-d5 |