| SpectraBase Compound ID | L6M9AEpjEgc |
|---|---|
| InChI | InChI=1S/C31H44O6Si/c1-17-14-24(36-28(34)20(17)16-35-38(5,6)7)18(2)21-8-9-22-19-15-27-31(37-27)26(33)11-10-25(32)30(31,4)23(19)12-13-29(21,22)3/h10-11,18-19,21-24,27H,8-9,12-16H2,1-7H3/t18-,19?,21+,22?,23?,24+,27+,29+,30-,31+/m0/s1 |
| InChIKey | XYHDTZUJKLKWIA-HGFWJPDFSA-N |
| Mol Weight | 540.8 g/mol |
| Molecular Formula | C31H44O6Si |
| Exact Mass | 540.290716 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ceq3wUcZkYV |
|---|---|
| Name | of 27-O-(Trimethylsilyl)-4-dehydroxy-4-oxowithafer-in A |
| Appearance | Amorphous solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H44O6Si |
| InChI | InChI=1S/C31H44O6Si/c1-17-14-24(36-28(34)20(17)16-35-38(5,6)7)18(2)21-8-9-22-19-15-27-31(37-27)26(33)11-10-25(32)30(31,4)23(19)12-13-29(21,22)3/h10-11,18-19,21-24,27H,8-9,12-16H2,1-7H3/t18-,19?,21+,22?,23?,24+,27+,29+,30-,31+/m0/s1 |
| InChIKey | XYHDTZUJKLKWIA-HGFWJPDFSA-N |
| Instrument Name | Micromass AutoSpec |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/acs.jmedchem.9b00146 |
| Molecular Weight | 540.772 g/mol |
| Optical Rotation | [a]D20 = +59.7 (c = 0.70, CHCl3) |
| Reported Formula | C31H44O6Si |
| SMILES | C=1C([C@]2([C@@]3(C(C1)=O)[C@@](CC1C2CC[C@]2(C1CC[C@@]2([C@](C)([C@]1(CC(=C(C(O1)=O)CO[Si](C)(C)C)C)[H])[H])[H])C)(O3)[H])C)=O |
| SPLASH | splash10-0fvi-7350090000-7612702a322362fad1bf |
| Source of Spectrum | AF-62-4581-24 |
| Wiley ID | 1871954 |