![.beta.,.Kappa.-caroten-6'-one, 8'-hydroxy-3'-[(trimethylsilyl)oxy]-, (2'R,5'R)-](/api/spectrum/F7J9S96QsDv/structure.png?h=300&w=458 ".beta.,.Kappa.-caroten-6'-one, 8'-hydroxy-3'-[(trimethylsilyl)oxy]-, (2'R,5'R)-")
| SpectraBase Compound ID | KYNd94KCbwX |
|---|---|
| InChI | InChI=1S/C43H64O3Si/c1-32(21-16-22-34(3)26-27-37-35(4)25-18-29-41(37,6)7)19-14-15-20-33(2)23-17-24-36(5)38(44)31-39(45)43(10)30-28-40(42(43,8)9)46-47(11,12)13/h14-17,19-24,26-27,31,40,44H,18,25,28-30H2,1-13H3/b15-14+,21-16+,23-17+,27-26+,32-19+,33-20+,34-22+,36-24+,38-31-/t40-,43+/m1/s1 |
| InChIKey | WZMIPUISRSLTHH-XSUWKLEWSA-N |
| Mol Weight | 657.1 g/mol |
| Molecular Formula | C43H64O3Si |
| Exact Mass | 656.462472 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F7J9S96QsDv |
|---|---|
| Name | .beta.,.Kappa.-caroten-6'-one, 8'-hydroxy-3'-[(trimethylsilyl)oxy]-, (2'R,5'R)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 656.462472453 u |
| Formula | C43H64O3Si |
| InChI | InChI=1S/C43H64O3Si/c1-32(21-16-22-34(3)26-27-37-35(4)25-18-29-41(37,6)7)19-14-15-20-33(2)23-17-24-36(5)38(44)31-39(45)43(10)30-28-40(42(43,8)9)46-47(11,12)13/h14-17,19-24,26-27,31,40,44H,18,25,28-30H2,1-13H3/b15-14+,21-16+,23-17+,27-26+,32-19+,33-20+,34-22+,36-24+,38-31-/t40-,43+/m1/s1 |
| InChIKey | WZMIPUISRSLTHH-XSUWKLEWSA-N |
| Molecular Weight | 657.067 g/mol |
| SMILES | [C@]1(C([C@](O[Si](C)(C)C)(CC1)[H])(C)C)(C(\C=C\(\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C1=C(CCCC1(C)C)C)C)C)C)C)O)=O)C |