| SpectraBase Compound ID | LMwjPD3sqRl |
|---|---|
| InChI | InChI=1S/C30H56O9Si5/c1-40(2,3)32-20-25-27(37-42(7,8)9)28(38-43(10,11)12)29(39-44(13,14)15)30(35-25)34-23-18-21-16-17-26(31)33-22(21)19-24(23)36-41(4,5)6/h16-19,25,27-30H,20H2,1-15H3/t25-,27-,28+,29-,30-/m1/s1 |
| InChIKey | VKHADXHULBNSLG-LXRLAABLSA-N |
| Mol Weight | 701.2 g/mol |
| Molecular Formula | C30H56O9Si5 |
| Exact Mass | 700.277066 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LiMDOAkUmTd |
|---|---|
| Name | Aesculin, 5tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 700.277066049 u |
| Formula | C30H56O9Si5 |
| InChI | InChI=1S/C30H56O9Si5/c1-40(2,3)32-20-25-27(37-42(7,8)9)28(38-43(10,11)12)29(39-44(13,14)15)30(35-25)34-23-18-21-16-17-26(31)33-22(21)19-24(23)36-41(4,5)6/h16-19,25,27-30H,20H2,1-15H3/t25-,27-,28+,29-,30-/m1/s1 |
| InChIKey | VKHADXHULBNSLG-LXRLAABLSA-N |
| SMILES | C1(OC2=C(C=C1)C=C(C(=C2)O[Si](C)(C)C)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])=O |