![6-O-[2,8-DIMETHYL-(2E,6E)-OCTADIENOYL]-PENSTEMOSIDE](/api/spectrum/3kkssEJehRo/structure.png?h=300&w=458 "6-O-[2,8-DIMETHYL-(2E,6E)-OCTADIENOYL]-PENSTEMOSIDE")
| SpectraBase Compound ID | IZGSTncG5OD |
|---|---|
| InChI | InChI=1S/C27H40O13/c1-13(8-9-28)6-5-7-14(2)23(33)39-18-10-15(3)19-25(37-12-16(24(34)36-4)27(18,19)35)40-26-22(32)21(31)20(30)17(11-29)38-26/h7-8,12,15,17-22,25-26,28-32,35H,5-6,9-11H2,1-4H3/b13-8+,14-7+/t15-,17+,18-,19?,20+,21-,22+,25+,26-,27-/m1/s1 |
| InChIKey | SERNEFQQZDUGDV-DUHRYVSTSA-N |
| Mol Weight | 572.6 g/mol |
| Molecular Formula | C27H40O13 |
| Exact Mass | 572.246891 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3kkssEJehRo |
|---|---|
| Name | 6-O-[2,8-DIMETHYL-(2E,6E)-OCTADIENOYL]-PENSTEMOSIDE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H40O13 |
| InChI | InChI=1S/C27H40O13/c1-13(8-9-28)6-5-7-14(2)23(33)39-18-10-15(3)19-25(37-12-16(24(34)36-4)27(18,19)35)40-26-22(32)21(31)20(30)17(11-29)38-26/h7-8,12,15,17-22,25-26,28-32,35H,5-6,9-11H2,1-4H3/b13-8+,14-7+/t15-,17+,18-,19?,20+,21-,22+,25+,26-,27-/m1/s1 |
| InChIKey | SERNEFQQZDUGDV-DUHRYVSTSA-N |
| Literature Reference Author | M.S.ABDEL-KADER,F.R.STERMITZ |
| Literature Reference Citation | PHYTOCHEM.,34,1367(1993) |
| Literature Reference DOI | 10.1016/0031-9422(91)80031-U |
| Molecular Weight | 572.607 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU20626 |