| SpectraBase Compound ID | 6fCHmoSNtGc |
|---|---|
| InChI | InChI=1S/C25H26O6/c1-24(2)11-10-14-18(26)17-19(27)20(28)21(13-8-6-5-7-9-13)29-23(17)15(22(14)31-24)12-16-25(3,4)30-16/h5-11,16,20-21,26,28H,12H2,1-4H3/t16?,20-,21+/m0/s1 |
| InChIKey | HBRBYGIRLUJXOH-KCECWRNFSA-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 | 16mPiiN2Gbq |
|---|---|
| Name | Longeracemosone E |
| 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/c1-24(2)11-10-14-18(26)17-19(27)20(28)21(13-8-6-5-7-9-13)29-23(17)15(22(14)31-24)12-16-25(3,4)30-16/h5-11,16,20-21,26,28H,12H2,1-4H3/t16?,20-,21+/m0/s1 |
| InChIKey | HBRBYGIRLUJXOH-KCECWRNFSA-N |
| Molecular Weight | 422.477 g/mol |
| SMILES | C1=2C(=C(C=3OC(C)(C)C=CC3C2O)CC2OC2(C)C)O[C@](C=2C=CC=CC2)([C@](C1=O)(O)[H])[H] |