| SpectraBase Compound ID | FTtk6VzOZqm |
|---|---|
| InChI | InChI=1S/C43H64O4Si/c1-32(20-16-22-34(3)24-26-42-39(7,8)30-37(45-42)31-41(42,10)47-48(11,12)13)18-14-15-19-33(2)21-17-23-35(4)25-27-43-38(5,6)28-36(44)29-40(43,9)46-43/h14-27,36-37,44H,28-31H2,1-13H3/b15-14+,20-16+,21-17+,26-24+,27-25+,32-18+,33-19+,34-22+,35-23+/t36-,37-,40+,41+,42+,43+/m0/s1 |
| InChIKey | DWKAFDOHGCKDRB-LWPQIDAKSA-N |
| Mol Weight | 673.1 g/mol |
| Molecular Formula | C43H64O4Si |
| Exact Mass | 672.457387 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | spG2EKAuAN |
|---|---|
| Name | (3S,5R,6R,3'S,5'R,6'S)-5-o-Trimethylsilyl)-3,6 : 5',6'-diepoxy-5,6,5',6'-tetrahydro-.beta.,.beta.-carotene-5,3'-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 672.457387072 u |
| Formula | C43H64O4Si |
| InChI | InChI=1S/C43H64O4Si/c1-32(20-16-22-34(3)24-26-42-39(7,8)30-37(45-42)31-41(42,10)47-48(11,12)13)18-14-15-19-33(2)21-17-23-35(4)25-27-43-38(5,6)28-36(44)29-40(43,9)46-43/h14-27,36-37,44H,28-31H2,1-13H3/b15-14+,20-16+,21-17+,26-24+,27-25+,32-18+,33-19+,34-22+,35-23+/t36-,37-,40+,41+,42+,43+/m0/s1 |
| InChIKey | DWKAFDOHGCKDRB-LWPQIDAKSA-N |
| SMILES | [C@]12([C@](C[C@](CC2(C)C)(O)[H])(C)O1)\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\[C@]12[C@@](C[C@@](O2)(CC1(C)C)[H])(O[Si](C)(C)C)C)C)C)C)C |