| SpectraBase Compound ID | 5VqGub7Lljy |
|---|---|
| InChI | InChI=1S/C21H30O8/c1-10(2)18(23)28-15-8-20(6)16(26-13(5)22)9-21(25,29-20)11(3)7-14-17(15)12(4)19(24)27-14/h10-11,14-17,25H,4,7-9H2,1-3,5-6H3/t11-,14+,15+,16+,17-,20+,21-/m0/s1 |
| InChIKey | MFYNTWZAYXDJQB-GQVJMLFRSA-N |
| Mol Weight | 410.46 g/mol |
| Molecular Formula | C21H30O8 |
| Exact Mass | 410.194068 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1LcmnxBRoDD |
|---|---|
| Name | 1-Acetyl-Tagitinin A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O8 |
| InChI | InChI=1S/C21H30O8/c1-10(2)18(23)28-15-8-20(6)16(26-13(5)22)9-21(25,29-20)11(3)7-14-17(15)12(4)19(24)27-14/h10-11,14-17,25H,4,7-9H2,1-3,5-6H3/t11-,14+,15+,16+,17-,20+,21-/m0/s1 |
| InChIKey | MFYNTWZAYXDJQB-GQVJMLFRSA-N |
| Molecular Weight | 410.463 g/mol |
| SMILES | O[C@@]12O[C@@](C[C@@](OC(=O)C(C)C)([C@]3(C(=C)C(O[C@@]3(C[C@@]1(C)[H])[H])=O)[H])[H])(C)[C@@](C2)(OC(=O)C)[H] |
| SPLASH | splash10-00di-9000000000-7cbccee5eadda8b24608 |
| Source of Spectrum | G4-61-828-1 |
| Wiley ID | 1607300 |