| SpectraBase Compound ID | BULYE72jJCQ |
|---|---|
| InChI | InChI=1S/C27H38O4Si/c1-18-8-12-23-26(2,3)24(31-32(5,6)7)14-15-27(23,4)21(18)17-29-20-11-9-19-10-13-25(28)30-22(19)16-20/h9-11,13,16,21,23-24H,1,8,12,14-15,17H2,2-7H3/t21-,23+,24+,27-/m0/s1 |
| InChIKey | HXDROGVOWVPMDJ-WDGUNVFXSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C27H38O4Si |
| Exact Mass | 454.253936 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AALgbH9B4Tg |
|---|---|
| Name | Farnesiferol A, tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 454.253936235 u |
| Formula | C27H38O4Si |
| InChI | InChI=1S/C27H38O4Si/c1-18-8-12-23-26(2,3)24(31-32(5,6)7)14-15-27(23,4)21(18)17-29-20-11-9-19-10-13-25(28)30-22(19)16-20/h9-11,13,16,21,23-24H,1,8,12,14-15,17H2,2-7H3/t21-,23+,24+,27-/m0/s1 |
| InChIKey | HXDROGVOWVPMDJ-WDGUNVFXSA-N |
| Molecular Weight | 454.682 g/mol |
| SMILES | [C@]1(O[Si](C)(C)C)(CC[C@@]2([C@]([H])(CCC(=C)[C@@]2(COC=2C=C3C(=CC2)C=CC(=O)O3)[H])C1(C)C)C)[H] |