| SpectraBase Compound ID | 4CzHtndmGb0 |
|---|---|
| InChI | InChI=1S/C30H44O13/c1-9-10-23(35)42-20-11-14(2)12-22-30(38,29(8,37)27(36)43-22)26(41-18(6)33)24-15(3)19(34)13-21(39-16(4)31)28(24,7)25(20)40-17(5)32/h12,15,19-22,24-26,34,37-38H,9-11,13H2,1-8H3/b14-12-/t15-,19-,20-,21-,22-,24+,25-,26-,28-,29-,30+/m0/s1 |
| InChIKey | ZSLFBBPCCHJUKI-NXBWZQOZSA-N |
| Mol Weight | 612.7 g/mol |
| Molecular Formula | C30H44O13 |
| Exact Mass | 612.278191 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2PQ8IS642a |
|---|---|
| Name | Briaexcavatolide L |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H44O13 |
| InChI | InChI=1S/C30H44O13/c1-9-10-23(35)42-20-11-14(2)12-22-30(38,29(8,37)27(36)43-22)26(41-18(6)33)24-15(3)19(34)13-21(39-16(4)31)28(24,7)25(20)40-17(5)32/h12,15,19-22,24-26,34,37-38H,9-11,13H2,1-8H3/b14-12-/t15-,19-,20-,21-,22-,24+,25-,26-,28-,29-,30+/m0/s1 |
| InChIKey | ZSLFBBPCCHJUKI-NXBWZQOZSA-N |
| Molecular Weight | 612.669 g/mol |
| SMILES | O[C@@]1([C@@]([C@]2([C@@]([C@]([C@](C\C(=C/[C@@]3(OC([C@@]([C@@]3([C@]2(OC(=O)C)[H])O)(O)C)=O)[H])C)(OC(=O)CCC)[H])(OC(=O)C)[H])([C@](C1)(OC(=O)C)[H])C)[H])(C)[H])[H] |
| SPLASH | splash10-0006-0015950000-b81b373b13092944922e |
| Source of Spectrum | G4-64-322-2 |
| Wiley ID | 1608843 |