| SpectraBase Compound ID | 3aj8ioupw1D |
|---|---|
| InChI | InChI=1S/C40H52O2/c1-29(18-13-19-31(3)22-24-36-25-23-32(4)34(6)35(36)7)16-11-12-17-30(2)20-14-21-33(5)37(41)28-38(42)40(10)27-15-26-39(40,8)9/h11-14,16-25,28,41H,15,26-27H2,1-10H3/b12-11+,18-13+,20-14+,24-22+,29-16+,30-17+,31-19+,33-21+,37-28-/t40-/m0/s1 |
| InChIKey | ZHOHENIQZPTRIZ-WCOKXOMASA-N |
| Mol Weight | 564.9 g/mol |
| Molecular Formula | C40H52O2 |
| Exact Mass | 564.396731 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9s0sJVp3Nni |
|---|---|
| Name | .Kappa.,.chi.-caroten-6-one, 8-hydroxy-, (5R)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 564.396730912 u |
| Formula | C40H52O2 |
| InChI | InChI=1S/C40H52O2/c1-29(18-13-19-31(3)22-24-36-25-23-32(4)34(6)35(36)7)16-11-12-17-30(2)20-14-21-33(5)37(41)28-38(42)40(10)27-15-26-39(40,8)9/h11-14,16-25,28,41H,15,26-27H2,1-10H3/b12-11+,18-13+,20-14+,24-22+,29-16+,30-17+,31-19+,33-21+,37-28-/t40-/m0/s1 |
| InChIKey | ZHOHENIQZPTRIZ-WCOKXOMASA-N |
| Molecular Weight | 564.854 g/mol |
| SMILES | C(\C=C\(\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C=1C(=C(C)C(=CC1)C)C)C)C)C)C)O)([C@]1(C(CCC1)(C)C)C)=O |