| SpectraBase Compound ID | 8S0rezlk1bK |
|---|---|
| InChI | InChI=1S/C29H56O10Si4/c1-18-21(30)15-19-20(27(31)32-2)16-33-28(23(18)19)36-29-26(39-43(12,13)14)25(38-42(9,10)11)24(37-41(6,7)8)22(35-29)17-34-40(3,4)5/h16,18-19,22-26,28-29H,15,17H2,1-14H3/t18-,19+,22+,23+,24+,25-,26+,28-,29-/m0/s1 |
| InChIKey | DTJFCDFJGMHHCL-RUEQLCOOSA-N |
| Mol Weight | 677.1 g/mol |
| Molecular Formula | C29H56O10Si4 |
| Exact Mass | 676.295054 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2wLn09phyb1 |
|---|---|
| Name | Dehydrologanin, 4tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 676.295054133 u |
| Formula | C29H56O10Si4 |
| InChI | InChI=1S/C29H56O10Si4/c1-18-21(30)15-19-20(27(31)32-2)16-33-28(23(18)19)36-29-26(39-43(12,13)14)25(38-42(9,10)11)24(37-41(6,7)8)22(35-29)17-34-40(3,4)5/h16,18-19,22-26,28-29H,15,17H2,1-14H3/t18-,19+,22+,23+,24+,25-,26+,28-,29-/m0/s1 |
| InChIKey | DTJFCDFJGMHHCL-RUEQLCOOSA-N |
| SMILES | [C@]1([C@]2([C@@](C(=CO1)C(=O)OC)(CC([C@@]2(C)[H])=O)[H])[H])(O[C@]1([C@](O[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@](O1)(CO[Si](C)(C)C)[H])[H])[H])[H])[H])[H] |