| SpectraBase Compound ID | HTxFbJpGb7R |
|---|---|
| InChI | InChI=1S/C38H54O3/c1-29(2)14-9-15-30(3)16-10-17-31(4)18-11-19-32(5)20-12-21-33(6)22-13-26-38(8)27-25-35-28-36(40-34(7)39)23-24-37(35)41-38/h14,16,18,20,22-25,27-28H,9-13,15,17,19,21,26H2,1-8H3/b30-16+,31-18+,32-20+,33-22+ |
| InChIKey | SFSQCZYGLFUSQO-KKZLJJICSA-N |
| Mol Weight | 558.8 g/mol |
| Molecular Formula | C38H54O3 |
| Exact Mass | 558.407296 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 65xTvm7bozX |
|---|---|
| Name | Sarcochromenol - A acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 558.407295596 u |
| Formula | C38H54O3 |
| InChI | InChI=1S/C38H54O3/c1-29(2)14-9-15-30(3)16-10-17-31(4)18-11-19-32(5)20-12-21-33(6)22-13-26-38(8)27-25-35-28-36(40-34(7)39)23-24-37(35)41-38/h14,16,18,20,22-25,27-28H,9-13,15,17,19,21,26H2,1-8H3/b30-16+,31-18+,32-20+,33-22+ |
| InChIKey | SFSQCZYGLFUSQO-KKZLJJICSA-N |
| Molecular Weight | 558.847 g/mol |
| SMILES | C=12OC(C=CC2=CC(OC(=O)C)=CC1)(CC\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)C)C |