| SpectraBase Compound ID | TXTghPZnjm |
|---|---|
| InChI | InChI=1S/C41H74O7Si/c1-6-7-8-18-22-34-23-20-25-35(44-31-43-34)36-26-27-37(46-36)38-28-29-39(47-38)40(48-49(3,4)5)24-19-16-14-12-10-9-11-13-15-17-21-33-30-32(2)45-41(33)42/h30,32,34-40H,6-29,31H2,1-5H3/t32-,34-,35-,36+,37+,38+,39+,40+/m0/s1 |
| InChIKey | PPEGTADRLSLENX-WBELDTKISA-N |
| Mol Weight | 707.1 g/mol |
| Molecular Formula | C41H74O7Si |
| Exact Mass | 706.520381 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BQhM7KW9jz2 |
|---|---|
| Name | 15-Trimethylsilyl-24,28-formaldehyde acetal derivative of squamocin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 706.520381251 u |
| Formula | C41H74O7Si |
| InChI | InChI=1S/C41H74O7Si/c1-6-7-8-18-22-34-23-20-25-35(44-31-43-34)36-26-27-37(46-36)38-28-29-39(47-38)40(48-49(3,4)5)24-19-16-14-12-10-9-11-13-15-17-21-33-30-32(2)45-41(33)42/h30,32,34-40H,6-29,31H2,1-5H3/t32-,34-,35-,36+,37+,38+,39+,40+/m0/s1 |
| InChIKey | PPEGTADRLSLENX-WBELDTKISA-N |
| SMILES | C1(C(=C[C@@](O1)(C)[H])CCCCCCCCCCCC[C@]([C@@]1(O[C@@]([C@@]2(O[C@@]([C@]3(OCO[C@](CCC3)(CCCCCC)[H])[H])(CC2)[H])[H])(CC1)[H])[H])(O[Si](C)(C)C)[H])=O |