| SpectraBase Compound ID | KxiMEU9o7zM |
|---|---|
| InChI | InChI=1S/C29H42O10/c1-7-15(2)25(33)39-24-20(32)12-21-27(6,22-11-19-8-9-34-26(19)38-22)16(3)10-23(37-18(5)31)28(21,13-35-17(4)30)29(24)14-36-29/h8-9,15-16,19-24,26,32H,7,10-14H2,1-6H3/t15?,16-,19+,20-,21-,22+,23+,24+,26-,27+,28+,29-/m1/s1 |
| InChIKey | LHFSTOLZQVESJD-IHOQWMNLSA-N |
| Mol Weight | 550.6 g/mol |
| Molecular Formula | C29H42O10 |
| Exact Mass | 550.277798 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lnmup0FJwSd |
|---|---|
| Name | AJUGAPITIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H42O10 |
| InChI | InChI=1S/C29H42O10/c1-7-15(2)25(33)39-24-20(32)12-21-27(6,22-11-19-8-9-34-26(19)38-22)16(3)10-23(37-18(5)31)28(21,13-35-17(4)30)29(24)14-36-29/h8-9,15-16,19-24,26,32H,7,10-14H2,1-6H3/t15?,16-,19+,20-,21-,22+,23+,24+,26-,27+,28+,29-/m1/s1 |
| InChIKey | LHFSTOLZQVESJD-IHOQWMNLSA-N |
| Literature Reference Author | I.M.BONEVA,B.P.MIKHOVA,P.Y.MALAKOV,G.Y.PAPANOV,H.DUDDECK,S.L .SPASSOV |
| Literature Reference Citation | PHYTOCHEM.,29,2931(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)87108-7 |
| Molecular Weight | 550.646 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ17725 |