| SpectraBase Compound ID | 7bfFgQR6kWb |
|---|---|
| InChI | InChI=1S/C22H36O11/c1-11-16-12(8-15(25-3)31-11)13(20(23)29-7)9-30-21(16)33-22-19(28-6)18(27-5)17(26-4)14(32-22)10-24-2/h9,11-12,14-19,21-22H,8,10H2,1-7H3/t11-,12+,14+,15+,16+,17+,18-,19+,21-,22-/m0/s1 |
| InChIKey | RGWSEXBDGBWTBG-QZDQRQOXSA-N |
| Mol Weight | 476.5 g/mol |
| Molecular Formula | C22H36O11 |
| Exact Mass | 476.225762 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bug9jKuQqaJ |
|---|---|
| Name | Morroniside, pentamethyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 476.225761968 u |
| Formula | C22H36O11 |
| InChI | InChI=1S/C22H36O11/c1-11-16-12(8-15(25-3)31-11)13(20(23)29-7)9-30-21(16)33-22-19(28-6)18(27-5)17(26-4)14(32-22)10-24-2/h9,11-12,14-19,21-22H,8,10H2,1-7H3/t11-,12+,14+,15+,16+,17+,18-,19+,21-,22-/m0/s1 |
| InChIKey | RGWSEXBDGBWTBG-QZDQRQOXSA-N |
| Molecular Weight | 476.519 g/mol |
| SMILES | [C@]1([C@@]2([C@](C[C@@](O1)(OC)[H])(C(=CO[C@]2(O[C@]1([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(COC)[H])[H])[H])[H])[H])[H])C(=O)OC)[H])[H])(C)[H] |