| SpectraBase Compound ID | JyvsHa76IBj |
|---|---|
| InChI | InChI=1S/C26H40O13/c1-28-14-9-10-16(15(11-14)24(27)35-8)38-26-23(34-7)21(32-5)20(31-4)18(39-26)13-37-25-22(33-6)19(30-3)17(29-2)12-36-25/h9-11,17-23,25-26H,12-13H2,1-8H3/t17-,18-,19+,20-,21+,22-,23-,25+,26-/m1/s1 |
| InChIKey | BSNQXMUULMXDCV-ATDYWMMPSA-N |
| Mol Weight | 560.6 g/mol |
| Molecular Formula | C26H40O13 |
| Exact Mass | 560.246891 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3h6cXSsrtkD |
|---|---|
| Name | Primulaverin, hexamethyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 560.246891335 u |
| Formula | C26H40O13 |
| InChI | InChI=1S/C26H40O13/c1-28-14-9-10-16(15(11-14)24(27)35-8)38-26-23(34-7)21(32-5)20(31-4)18(39-26)13-37-25-22(33-6)19(30-3)17(29-2)12-36-25/h9-11,17-23,25-26H,12-13H2,1-8H3/t17-,18-,19+,20-,21+,22-,23-,25+,26-/m1/s1 |
| InChIKey | BSNQXMUULMXDCV-ATDYWMMPSA-N |
| Molecular Weight | 560.593 g/mol |
| SMILES | [C@]1([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])(OC=1C(=CC(OC)=CC1)C(OC)=O)[H] |