| SpectraBase Compound ID | 7luQV0c9Jeu |
|---|---|
| InChI | InChI=1S/C28H38O9/c1-15(2)11-25(35-19(6)30)27(36-20(7)31)24-14-33-28(37-21(8)32)26-17(4)13-22(34-18(5)29)12-16(3)9-10-23(24)26/h11-12,14,22-23,25-28H,4,9-10,13H2,1-3,5-8H3/b16-12-/t22-,23?,25+,26-,27?,28-/m0/s1 |
| InChIKey | JTACQGNVQPQYQN-FXMCRWNUSA-N |
| Mol Weight | 518.6 g/mol |
| Molecular Formula | C28H38O9 |
| Exact Mass | 518.251583 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9BjvJG5Jpfw |
|---|---|
| Name | Xenicin |
| CAS Registry Number | 64504-52-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H38O9 |
| InChI | InChI=1S/C28H38O9/c1-15(2)11-25(35-19(6)30)27(36-20(7)31)24-14-33-28(37-21(8)32)26-17(4)13-22(34-18(5)29)12-16(3)9-10-23(24)26/h11-12,14,22-23,25-28H,4,9-10,13H2,1-3,5-8H3/b16-12-/t22-,23?,25+,26-,27?,28-/m0/s1 |
| InChIKey | JTACQGNVQPQYQN-FXMCRWNUSA-N |
| Molecular Weight | 518.603 g/mol |
| SMILES | C=1(C2[C@@](C(C[C@@](OC(=O)C)(\C=C/(CC2)C)[H])=C)([H])[C@@](OC1)(OC(=O)C)[H])C([C@@](C=C(C)C)(OC(=O)C)[H])OC(=O)C |
| SPLASH | splash10-0006-9233000000-a38a81e15b1d701c5880 |
| Source of Spectrum | C-99-5782-0 |
| Wiley ID | 1401685 |