| SpectraBase Compound ID | CiqsthV19l |
|---|---|
| InChI | InChI=1S/C27H42O10/c1-9-10-17-11-13-18(14-12-17)36-27-25(33-8)23(31-6)21(29-4)19(37-27)15-34-26-24(32-7)22(30-5)20(28-3)16(2)35-26/h9,11-14,16,19-27H,1,10,15H2,2-8H3/t16-,19+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1 |
| InChIKey | BBSBMWJLSQQMGX-JSOCJMDOSA-N |
| Mol Weight | 526.6 g/mol |
| Molecular Formula | C27H42O10 |
| Exact Mass | 526.277798 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9lgtstmhGTY |
|---|---|
| Name | Lusitanicoside, hexamethyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 526.277797542 u |
| Formula | C27H42O10 |
| InChI | InChI=1S/C27H42O10/c1-9-10-17-11-13-18(14-12-17)36-27-25(33-8)23(31-6)21(29-4)19(37-27)15-34-26-24(32-7)22(30-5)20(28-3)16(2)35-26/h9,11-14,16,19-27H,1,10,15H2,2-8H3/t16-,19+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1 |
| InChIKey | BBSBMWJLSQQMGX-JSOCJMDOSA-N |
| Molecular Weight | 526.623 g/mol |
| SMILES | [C@@]1(OC2=CC=C(C=C2)CC=C)([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(CO[C@@]1(O[C@@](C)([C@](OC)([C@@](OC)([C@]1(OC)[H])[H])[H])[H])[H])[H])[H])[H])[H])[H] |