| SpectraBase Compound ID | B4cUpr4avu0 |
|---|---|
| InChI | InChI=1S/C26H44O4Si2/c1-19-10-13-22-25(2,21(19)12-11-20-15-17-28-24(20)27)16-14-23(30-32(7,8)9)26(22,3)18-29-31(4,5)6/h11-12,15,21-23H,1,10,13-14,16-18H2,2-9H3/b12-11+/t21-,22+,23-,25+,26+/m1/s1 |
| InChIKey | JOUNJOZZFYDFSL-VJRHRCLPSA-N |
| Mol Weight | 476.8 g/mol |
| Molecular Formula | C26H44O4Si2 |
| Exact Mass | 476.277813 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5kWCpHRTqfk |
|---|---|
| Name | 14-Deoxy-11,14-didehydroandrographolide, 2tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 476.277812963 u |
| Formula | C26H44O4Si2 |
| InChI | InChI=1S/C26H44O4Si2/c1-19-10-13-22-25(2,21(19)12-11-20-15-17-28-24(20)27)16-14-23(30-32(7,8)9)26(22,3)18-29-31(4,5)6/h11-12,15,21-23H,1,10,13-14,16-18H2,2-9H3/b12-11+/t21-,22+,23-,25+,26+/m1/s1 |
| InChIKey | JOUNJOZZFYDFSL-VJRHRCLPSA-N |
| Molecular Weight | 476.804 g/mol |
| SMILES | C[C@@]12[C@@]([C@@](CO[Si](C)(C)C)(C)[C@@](CC2)(O[Si](C)(C)C)[H])(CCC([C@]1(\C=C\C=1C(=O)OCC1)[H])=C)[H] |