| SpectraBase Compound ID | EN59BVEr1Mh |
|---|---|
| InChI | InChI=1S/C40H56O2/c1-33(2)18-12-20-35(4)22-14-24-36(5)23-13-21-34(3)19-10-11-29-39(32-41)30-16-27-37(6)25-15-26-38(7)28-17-31-40(8,9)42/h10-11,13-16,18-19,21-27,29-30,32,42H,12,17,20,28,31H2,1-9H3/b11-10+,21-13+,24-14+,25-15+,30-16+,34-19+,35-22+,36-23+,37-27+,38-26+,39-29- |
| InChIKey | GOJQFVQXKNNAAY-YSKSLKBTSA-N |
| Mol Weight | 568.9 g/mol |
| Molecular Formula | C40H56O2 |
| Exact Mass | 568.428031 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | tgeLwn7f91 |
|---|---|
| Name | .psi.,.psi.-Caroten-20-al, 1,2-dihydro-1-hydroxy-, 13-cis- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 568.428031041 u |
| Formula | C40H56O2 |
| InChI | InChI=1S/C40H56O2/c1-33(2)18-12-20-35(4)22-14-24-36(5)23-13-21-34(3)19-10-11-29-39(32-41)30-16-27-37(6)25-15-26-38(7)28-17-31-40(8,9)42/h10-11,13-16,18-19,21-27,29-30,32,42H,12,17,20,28,31H2,1-9H3/b11-10+,21-13+,24-14+,25-15+,30-16+,34-19+,35-22+,36-23+,37-27+,38-26+,39-29- |
| InChIKey | GOJQFVQXKNNAAY-YSKSLKBTSA-N |
| Molecular Weight | 568.886 g/mol |
| SMILES | C(\C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C=C\(CCCC(C)(C)O)C)C)C=O)C)C)C)CC=C(C)C |