| SpectraBase Compound ID | CetmqaZ9nqc |
|---|---|
| InChI | InChI=1S/C25H38O12/c1-27-16-12-34-24(21(31-5)18(16)28-2)35-13-17-19(29-3)20(30-4)22(32-6)25(37-17)36-15-11-9-8-10-14(15)23(26)33-7/h8-11,16-22,24-25H,12-13H2,1-7H3/t16-,17-,18+,19-,20+,21-,22-,24+,25-/m1/s1 |
| InChIKey | LFQMPJCZUSMWTO-YJKVDARUSA-N |
| Mol Weight | 530.6 g/mol |
| Molecular Formula | C25H38O12 |
| Exact Mass | 530.236327 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fv8yKMTKzjs |
|---|---|
| Name | Monotropitin, hexamethyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 530.236326652 u |
| Formula | C25H38O12 |
| InChI | InChI=1S/C25H38O12/c1-27-16-12-34-24(21(31-5)18(16)28-2)35-13-17-19(29-3)20(30-4)22(32-6)25(37-17)36-15-11-9-8-10-14(15)23(26)33-7/h8-11,16-22,24-25H,12-13H2,1-7H3/t16-,17-,18+,19-,20+,21-,22-,24+,25-/m1/s1 |
| InChIKey | LFQMPJCZUSMWTO-YJKVDARUSA-N |
| Molecular Weight | 530.567 g/mol |
| SMILES | [C@@]1(OC=2C(C(=O)OC)=CC=CC2)([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(CO[C@]1([C@](OC)([C@@](OC)([C@](OC)(CO1)[H])[H])[H])[H])[H])[H])[H])[H])[H] |