| SpectraBase Compound ID | GbxOeHK2iE2 |
|---|---|
| InChI | InChI=1S/C31H44O12/c1-15-10-25(41-20(6)34)30(13-38-18(4)32)23(29(15,7)24-11-21-8-9-37-28(21)42-24)12-22(35)26(31(30)14-39-31)43-27(36)16(2)17(3)40-19(5)33/h8-9,15-17,21-26,28,35H,10-14H2,1-7H3/t15-,16?,17?,21+,22-,23-,24+,25+,26+,28-,29+,30+,31-/m1/s1 |
| InChIKey | SVYZIDAZJUAUJN-NDZRGYFNSA-N |
| Mol Weight | 608.7 g/mol |
| Molecular Formula | C31H44O12 |
| Exact Mass | 608.283277 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 36wO5P9Rdh8 |
|---|---|
| Name | AJUGACHIN_B |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H44O12 |
| InChI | InChI=1S/C31H44O12/c1-15-10-25(41-20(6)34)30(13-38-18(4)32)23(29(15,7)24-11-21-8-9-37-28(21)42-24)12-22(35)26(31(30)14-39-31)43-27(36)16(2)17(3)40-19(5)33/h8-9,15-17,21-26,28,35H,10-14H2,1-7H3/t15-,16?,17?,21+,22-,23-,24+,25+,26+,28-,29+,30+,31-/m1/s1 |
| InChIKey | SVYZIDAZJUAUJN-NDZRGYFNSA-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 | 608.683 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ17727 |