| SpectraBase Compound ID | 5738ynKWYRi |
|---|---|
| InChI | InChI=1S/C29H38O17/c1-12-9-21(40-14(3)31)29(46-18(7)35)19(26(36)37-8)10-39-27(22(12)29)45-28-25(43-17(6)34)24(42-16(5)33)23(41-15(4)32)20(44-28)11-38-13(2)30/h10,12,20-25,27-28H,9,11H2,1-8H3/t12-,20+,21-,22+,23+,24-,25+,27+,28-,29-/m1/s1 |
| InChIKey | INVRHZQYDDMRJR-RPELQGPNSA-N |
| Mol Weight | 658.6 g/mol |
| Molecular Formula | C29H38O17 |
| Exact Mass | 658.2109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BG6okvpIsuP |
|---|---|
| Name | PENSTEMOSIDE-PENTAACETATE |
| Compound Number | 7A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H38O17 |
| InChI | InChI=1S/C29H38O17/c1-12-9-21(40-14(3)31)29(46-18(7)35)19(26(36)37-8)10-39-27(22(12)29)45-28-25(43-17(6)34)24(42-16(5)33)23(41-15(4)32)20(44-28)11-38-13(2)30/h10,12,20-25,27-28H,9,11H2,1-8H3/t12-,20+,21-,22+,23+,24-,25+,27+,28-,29-/m1/s1 |
| InChIKey | INVRHZQYDDMRJR-RPELQGPNSA-N |
| Literature Reference Author | R.KASAI,M.KATAGIRI,K.OHTANI,K.YAMASAKI,C.R.YANG,O.TANAKA |
| Literature Reference Citation | PHYTOCHEM.,36,967(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90473-4 |
| Molecular Weight | 658.611 g/mol |
| Solvent | D2O |
| Source File Reference | UWMS26023 |