| SpectraBase Compound ID | Cu41Ql0cJdB |
|---|---|
| InChI | InChI=1S/C28H24O7/c29-18-14-19(30)26(28-25(18)20(31)15-22(35-28)16-8-3-1-4-9-16)24(17-10-5-2-6-11-17)27(33)21-12-7-13-23(32)34-21/h1-11,13-14,21-22,24,27,29-30,33H,12,15H2/t21?,22-,24-,27-/m0/s1 |
| InChIKey | DMRJPGBYRJDSKA-CCFYCYNUSA-N |
| Mol Weight | 472.49 g/mol |
| Molecular Formula | C28H24O7 |
| Exact Mass | 472.152203 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3iWa5gOmUdS |
|---|---|
| Name | Goniolactone C |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H24O7 |
| InChI | InChI=1S/C28H24O7/c29-18-14-19(30)26(28-25(18)20(31)15-22(35-28)16-8-3-1-4-9-16)24(17-10-5-2-6-11-17)27(33)21-12-7-13-23(32)34-21/h1-11,13-14,21-22,24,27,29-30,33H,12,15H2/t21?,22-,24-,27-/m0/s1 |
| InChIKey | DMRJPGBYRJDSKA-CCFYCYNUSA-N |
| Instrument Name | VG ZAB-2F |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np010443w |
| Molecular Weight | 472.493 g/mol |
| Optical Rotation | [a]D20 = -53.9 (c = 0.71, EtOH) |
| Reported Formula | C28H24O7 |
| SMILES | Oc1c(c2O[C@@](CC(c2c(c1)O)=O)(c1ccccc1)[H])[C@](c1ccccc1)([C@@](O)(C1CC=CC(=O)O1)[H])[H] |
| SPLASH | splash10-0005-0289400000-6be1c97c6caaed99e0d8 |
| Source of Spectrum | G4-65-839-3 |
| Wiley ID | 1881142 |