| SpectraBase Compound ID | GgKQIDXpnJf |
|---|---|
| InChI | InChI=1S/C25H26O6/c1-13(2)17(26)12-16-23-15(10-11-25(3,4)31-23)19(27)18-20(28)21(29)22(30-24(16)18)14-8-6-5-7-9-14/h5-11,17,21-22,26-27,29H,1,12H2,2-4H3/t17-,21-,22+/m0/s1 |
| InChIKey | JAJUIQORHRAYGX-BULFRSBZSA-N |
| Mol Weight | 422.48 g/mol |
| Molecular Formula | C25H26O6 |
| Exact Mass | 422.172939 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8qH4dKv9bna |
|---|---|
| Name | Longeracemosone C |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 422.172938551 u |
| Formula | C25H26O6 |
| InChI | InChI=1S/C25H26O6/c1-13(2)17(26)12-16-23-15(10-11-25(3,4)31-23)19(27)18-20(28)21(29)22(30-24(16)18)14-8-6-5-7-9-14/h5-11,17,21-22,26-27,29H,1,12H2,2-4H3/t17-,21-,22+/m0/s1 |
| InChIKey | JAJUIQORHRAYGX-BULFRSBZSA-N |
| Molecular Weight | 422.477 g/mol |
| SMILES | C1=2C(=C(C=3OC(C)(C)C=CC3C2O)C[C@@](C(=C)C)(O)[H])O[C@](C=2C=CC=CC2)([C@](C1=O)(O)[H])[H] |