| SpectraBase Compound ID | 2T9Fe6v4mYi |
|---|---|
| InChI | InChI=1S/C23H31NO9/c1-7-17-20(31-14(3)25)13(2)23(5,33-15(4)26)22(29)30-12-16-8-10-24(6)11-9-18(19(16)27)32-21(17)28/h7-8,13,18,20H,9-12H2,1-6H3/b16-8-,17-7-/t13-,18+,20-,23-/m0/s1 |
| InChIKey | AXKQLQXZIOIGKA-QJLOSVKLSA-N |
| Mol Weight | 465.5 g/mol |
| Molecular Formula | C23H31NO9 |
| Exact Mass | 465.199882 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KlmAg7QeupU |
|---|---|
| Name | Ligularine |
| Alternate Name(s) | Acetic acid [(1R,4Z,5S,6S,7S,11Z)-7-acetyloxy-4-ethylidene-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-5-yl] ester [(1R,4Z,5S,6S,7S,11Z)-7-acetyloxy-4-ethylidene-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-5-yl] acetate [(1R,4Z,5S,6S,7S,11Z)-7-acetoxy-4-ethylidene-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-5-yl] acetate [(1R,4Z,5S,6S,7S,11Z)-7-acetyloxy-4-ethylidene-6,7,14-trimethyl-3,8,17-tris(oxidanylidene)-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-5-yl] ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H31NO9 |
| InChI | InChI=1S/C23H31NO9/c1-7-17-20(31-14(3)25)13(2)23(5,33-15(4)26)22(29)30-12-16-8-10-24(6)11-9-18(19(16)27)32-21(17)28/h7-8,13,18,20H,9-12H2,1-6H3/b16-8-,17-7-/t13-,18+,20-,23-/m0/s1 |
| InChIKey | AXKQLQXZIOIGKA-QJLOSVKLSA-N |
| Molecular Weight | 465.499 g/mol |
| SMILES | [C@]1(\C(C(O[C@]2(C(\C(COC([C@]([C@]1(C)[H])(OC(=O)C)C)=O)=C\CN(CC2)C)=O)[H])=O)=C\C)(OC(=O)C)[H] |
| SPLASH | splash10-0ik9-0918000000-2ccd266c0dd6570c2260 |
| Source of Spectrum | CRT-17-705-fig.2/B |
| Wiley ID | 1710059 |