| SpectraBase Compound ID | Ei85gaPLWBd |
|---|---|
| InChI | InChI=1S/C24H30O4/c1-16(5-9-20-23(2,3)21-11-13-24(20,4)28-21)12-14-26-18-8-6-17-7-10-22(25)27-19(17)15-18/h6-8,10,12,15,20-21H,5,9,11,13-14H2,1-4H3/b16-12+/t20-,21-,24+/m1/s1 |
| InChIKey | OCHZHKVSLMBEJP-QYQYHAIPSA-N |
| Mol Weight | 382.5 g/mol |
| Molecular Formula | C24H30O4 |
| Exact Mass | 382.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 21ESBlTNIKV |
|---|---|
| Name | Farnesiferol C |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.214409442 u |
| Formula | C24H30O4 |
| InChI | InChI=1S/C24H30O4/c1-16(5-9-20-23(2,3)21-11-13-24(20,4)28-21)12-14-26-18-8-6-17-7-10-22(25)27-19(17)15-18/h6-8,10,12,15,20-21H,5,9,11,13-14H2,1-4H3/b16-12+/t20-,21-,24+/m1/s1 |
| InChIKey | OCHZHKVSLMBEJP-QYQYHAIPSA-N |
| Molecular Weight | 382.500 g/mol |
| SMILES | C1=C(C=C2OC(C=CC2=C1)=O)OC\C=C\(CC[C@@]1(C([C@]2(CC[C@]1(C)O2)[H])(C)C)[H])C |