| SpectraBase Compound ID | Xakm5Hlxfc |
|---|---|
| InChI | InChI=1S/C23H28O6/c1-24-17-7-6-13(9-18(17)25-2)20-16-12-29-11-15(16)8-14-10-19(26-3)22(27-4)23(28-5)21(14)20/h6-7,9-10,15-16,20H,8,11-12H2,1-5H3/t15?,16-,20+/m1/s1 |
| InChIKey | RKVVUMUMIOPICX-ZHXBYJNYSA-N |
| Mol Weight | 400.47 g/mol |
| Molecular Formula | C23H28O6 |
| Exact Mass | 400.188589 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7BdjYbcFb5C |
|---|---|
| Name | Aglacin C |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H28O6 |
| InChI | InChI=1S/C23H28O6/c1-24-17-7-6-13(9-18(17)25-2)20-16-12-29-11-15(16)8-14-10-19(26-3)22(27-4)23(28-5)21(14)20/h6-7,9-10,15-16,20H,8,11-12H2,1-5H3/t15?,16-,20+/m1/s1 |
| InChIKey | RKVVUMUMIOPICX-ZHXBYJNYSA-N |
| Molecular Weight | 400.471 g/mol |
| SMILES | c12[C@@](c3cc(OC)c(cc3)OC)([C@@]3(COCC3Cc1cc(OC)c(c2OC)OC)[H])[H] |
| SPLASH | splash10-0udi-1200900000-17b15629e37e84126144 |
| Source of Spectrum | G4-64-1525-3 |
| Wiley ID | 1609341 |