| SpectraBase Compound ID | 7QR6LEaGUmn |
|---|---|
| InChI | InChI=1S/C37H46O14/c1-17(2)36(50-32(43)25-14-12-11-13-15-25)29(46-21(6)39)19(4)35(44)26-16-18(3)28(45-20(5)38)37(26)33(49-24(9)42)34(10,51-37)30(47-22(7)40)27(35)31(36)48-23(8)41/h11-15,18-19,26-31,33,44H,1,16H2,2-10H3/t18-,19+,26-,27-,28-,29-,30-,31+,33+,34+,35-,36-,37+/m0/s1 |
| InChIKey | LBHUCMJWTBGOHY-WWWIWWQGSA-N |
| Mol Weight | 714.8 g/mol |
| Molecular Formula | C37H46O14 |
| Exact Mass | 714.288756 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AbUGA7C8QQK |
|---|---|
| Name | Trigochinin F |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H46O14 |
| InChI | InChI=1S/C37H46O14/c1-17(2)36(50-32(43)25-14-12-11-13-15-25)29(46-21(6)39)19(4)35(44)26-16-18(3)28(45-20(5)38)37(26)33(49-24(9)42)34(10,51-37)30(47-22(7)40)27(35)31(36)48-23(8)41/h11-15,18-19,26-31,33,44H,1,16H2,2-10H3/t18-,19+,26-,27-,28-,29-,30-,31+,33+,34+,35-,36-,37+/m0/s1 |
| InChIKey | LBHUCMJWTBGOHY-WWWIWWQGSA-N |
| Molecular Weight | 714.761 g/mol |
| SMILES | O[C@@]12[C@]3([C@]4([C@](OC(=O)C)([C@](O4)([C@@](OC(=O)C)([C@]1([C@]([C@](OC(=O)c1ccccc1)(C(=C)C)[C@]([C@]2(C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])[H])C)[H])[C@]([C@@](C)(C3)[H])(OC(=O)C)[H])[H] |
| SPLASH | splash10-0a4i-0901001000-7f0ae85c630461a29287 |
| Source of Spectrum | F-66-5069-3 |
| Wiley ID | 1683638 |