| SpectraBase Compound ID | 4uyMQftZan7 |
|---|---|
| InChI | InChI=1S/C39H66O11Si4/c1-41-30-18-16-26(22-32(30)42-2)20-28-24-44-38(40)29(28)21-27-17-19-31(33(23-27)43-3)46-39-37(50-54(13,14)15)36(49-53(10,11)12)35(48-52(7,8)9)34(47-39)25-45-51(4,5)6/h16-19,22-23,28-29,34-37,39H,20-21,24-25H2,1-15H3/t28-,29+,34+,35+,36-,37+,39+/m0/s1 |
| InChIKey | RBSAJEZKKWUHMH-KNCDFYKASA-N |
| Mol Weight | 823.3 g/mol |
| Molecular Formula | C39H66O11Si4 |
| Exact Mass | 822.368219 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LqCzdPeWtHX |
|---|---|
| Name | Arctiin, 4tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 822.368219074 u |
| Formula | C39H66O11Si4 |
| InChI | InChI=1S/C39H66O11Si4/c1-41-30-18-16-26(22-32(30)42-2)20-28-24-44-38(40)29(28)21-27-17-19-31(33(23-27)43-3)46-39-37(50-54(13,14)15)36(49-53(10,11)12)35(48-52(7,8)9)34(47-39)25-45-51(4,5)6/h16-19,22-23,28-29,34-37,39H,20-21,24-25H2,1-15H3/t28-,29+,34+,35+,36-,37+,39+/m0/s1 |
| InChIKey | RBSAJEZKKWUHMH-KNCDFYKASA-N |
| Molecular Weight | 823.286 g/mol |
| SMILES | C1(OC[C@@]([C@]1(CC1=CC(=C(C=C1)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])OC)[H])(CC1=CC(=C(C=C1)OC)OC)[H])=O |