| SpectraBase Compound ID | FpnP9c8l150 |
|---|---|
| InChI | InChI=1S/C34H66O5Si3/c1-23(14-17-29(35)36-4)25-15-16-26-30-27(19-21-33(25,26)2)34(3)20-18-24(37-40(5,6)7)22-28(34)31(38-41(8,9)10)32(30)39-42(11,12)13/h23-28,30-32H,14-22H2,1-13H3/t23-,24-,25-,26+,27+,28+,30+,31+,32+,33-,34-/m1/s1 |
| InChIKey | MPBUWUAYSDIDGN-QDINQCIBSA-N |
| Mol Weight | 639.2 g/mol |
| Molecular Formula | C34H66O5Si3 |
| Exact Mass | 638.421805 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KsjW7hg433W |
|---|---|
| Name | Methyl 3,6,7-tris(trimethylsilyl).-.alpha.-muricholate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 638.421804825 u |
| Formula | C34H66O5Si3 |
| InChI | InChI=1S/C34H66O5Si3/c1-23(14-17-29(35)36-4)25-15-16-26-30-27(19-21-33(25,26)2)34(3)20-18-24(37-40(5,6)7)22-28(34)31(38-41(8,9)10)32(30)39-42(11,12)13/h23-28,30-32H,14-22H2,1-13H3/t23-,24-,25-,26+,27+,28+,30+,31+,32+,33-,34-/m1/s1 |
| InChIKey | MPBUWUAYSDIDGN-QDINQCIBSA-N |
| Molecular Weight | 639.152 g/mol |
| SMILES | [C@@]1([C@]([C@@]2(C[C@](O[Si](C)(C)C)(CC[C@@]2([C@@]2([C@@]1([C@]1([C@@]([C@@]([C@@](CCC(=O)OC)(C)[H])(CC1)[H])(CC2)C)[H])[H])[H])C)[H])[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H] |