| SpectraBase Compound ID | CrcGQGOOTxf |
|---|---|
| InChI | InChI=1S/C34H54O9Si4/c1-36-24-16-14-23(15-17-24)27-21-37-28-20-25(18-19-26(28)30(27)35)39-34-33(43-47(11,12)13)32(42-46(8,9)10)31(41-45(5,6)7)29(40-34)22-38-44(2,3)4/h14-21,29,31-34H,22H2,1-13H3/t29-,31-,32+,33-,34-/m1/s1 |
| InChIKey | CTQUFRONHLQQTA-BRAMSPLKSA-N |
| Mol Weight | 719.1 g/mol |
| Molecular Formula | C34H54O9Si4 |
| Exact Mass | 718.284489 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HJbMPtpxn9X |
|---|---|
| Name | Ononin, 4tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 718.284489450 u |
| Formula | C34H54O9Si4 |
| InChI | InChI=1S/C34H54O9Si4/c1-36-24-16-14-23(15-17-24)27-21-37-28-20-25(18-19-26(28)30(27)35)39-34-33(43-47(11,12)13)32(42-46(8,9)10)31(41-45(5,6)7)29(40-34)22-38-44(2,3)4/h14-21,29,31-34H,22H2,1-13H3/t29-,31-,32+,33-,34-/m1/s1 |
| InChIKey | CTQUFRONHLQQTA-BRAMSPLKSA-N |
| SMILES | C1=C(C(=O)C2=CC=C(C=C2O1)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])C1=CC=C(C=C1)OC |