| SpectraBase Compound ID | 5Ci5OMiI4KX |
|---|---|
| InChI | InChI=1S/C29H54O5Si3/c1-21-13-16-25-28(2,23(21)15-14-22-24(19-31-27(22)30)33-36(7,8)9)18-17-26(34-37(10,11)12)29(25,3)20-32-35(4,5)6/h14,23-26H,1,13,15-20H2,2-12H3/b22-14+/t23-,24+,25+,26-,28+,29+/m1/s1 |
| InChIKey | HKLCOWZNQKEJHG-YFJAXFAWSA-N |
| Mol Weight | 567.0 g/mol |
| Molecular Formula | C29H54O5Si3 |
| Exact Mass | 566.327904 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ajM3ST04uV |
|---|---|
| Name | 14-Epiandrographolide, 3tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 566.327904439 u |
| Formula | C29H54O5Si3 |
| InChI | InChI=1S/C29H54O5Si3/c1-21-13-16-25-28(2,23(21)15-14-22-24(19-31-27(22)30)33-36(7,8)9)18-17-26(34-37(10,11)12)29(25,3)20-32-35(4,5)6/h14,23-26H,1,13,15-20H2,2-12H3/b22-14+/t23-,24+,25+,26-,28+,29+/m1/s1 |
| InChIKey | HKLCOWZNQKEJHG-YFJAXFAWSA-N |
| Molecular Weight | 567.001 g/mol |
| SMILES | C1[C@]([C@@]([C@]2(CCC([C@@]([C@@]2(C1)C)([H])C\C=C\1C(=O)OC[C@@]1(O[Si](C)(C)C)[H])=C)[H])(C)CO[Si](C)(C)C)(O[Si](C)(C)C)[H] |