| SpectraBase Compound ID | 5xTNSwFWfdN |
|---|---|
| InChI | InChI=1S/C28H40O8/c1-9-16(4)10-11-27(8)17(5)12-23(31)28-21(13-20(14-22(27)28)35-24(32)15(2)3)25(33-18(6)29)36-26(28)34-19(7)30/h9-10,13,15,17,20,22-23,25-26,31H,1,11-12,14H2,2-8H3/b16-10+/t17-,20?,22?,23+,25+,26-,27?,28?/m0/s1 |
| InChIKey | PASSAFHUDJPXAL-KOEBFGJDSA-N |
| Mol Weight | 504.6 g/mol |
| Molecular Formula | C28H40O8 |
| Exact Mass | 504.272318 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1VKaBlZLdN0 |
|---|---|
| Name | Corymbotin E |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H40O8 |
| InChI | InChI=1S/C28H40O8/c1-9-16(4)10-11-27(8)17(5)12-23(31)28-21(13-20(14-22(27)28)35-24(32)15(2)3)25(33-18(6)29)36-26(28)34-19(7)30/h9-10,13,15,17,20,22-23,25-26,31H,1,11-12,14H2,2-8H3/b16-10+/t17-,20?,22?,23+,25+,26-,27?,28?/m0/s1 |
| InChIKey | PASSAFHUDJPXAL-KOEBFGJDSA-N |
| Molecular Weight | 504.620 g/mol |
| SMILES | O[C@]1(C23C([C@](OC(=O)C)(O[C@@]3(OC(=O)C)[H])[H])=CC(CC2C(C\C=C\(C=C)C)(C)[C@](C1)(C)[H])OC(=O)C(C)C)[H] |
| SPLASH | splash10-0006-0000900000-779f9214c86644ba1148 |
| Source of Spectrum | X2-54-1617-10 |
| Wiley ID | 1604284 |