| SpectraBase Compound ID | Aeq7plq5Ykl |
|---|---|
| InChI | InChI=1S/C46H60O8/c1-32(19-15-20-34(3)23-24-41-42(7,8)27-39(52-36(5)48)29-44(41,11)50)17-13-14-18-33(2)21-16-22-38(31-51-35(4)47)25-26-46-43(9,10)28-40(53-37(6)49)30-45(46,12)54-46/h13-23,39-40,50H,27-31H2,1-12H3/b14-13+,19-15+,21-16+,32-17+,33-18+,34-20+,38-22-/t24?,39-,40-,44+,45+,46-/m0/s1 |
| InChIKey | BRTQHOMUHWAQST-PAOYPGCXSA-N |
| Mol Weight | 741.0 g/mol |
| Molecular Formula | C46H60O8 |
| Exact Mass | 740.428819 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 29kXFJVj0Gx |
|---|---|
| Name | Gyroxanthin triacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 740.428818884 u |
| Formula | C46H60O8 |
| InChI | InChI=1S/C46H60O8/c1-32(19-15-20-34(3)23-24-41-42(7,8)27-39(52-36(5)48)29-44(41,11)50)17-13-14-18-33(2)21-16-22-38(31-51-35(4)47)25-26-46-43(9,10)28-40(53-37(6)49)30-45(46,12)54-46/h13-23,39-40,50H,27-31H2,1-12H3/b14-13+,19-15+,21-16+,32-17+,33-18+,34-20+,38-22-/t24?,39-,40-,44+,45+,46-/m0/s1 |
| InChIKey | BRTQHOMUHWAQST-PAOYPGCXSA-N |
| Molecular Weight | 740.978 g/mol |
| SMILES | [C@@]12([C@](C[C@](CC2(C)C)(OC(=O)C)[H])(C)O1)C#C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(C=C=C1[C@@](C[C@](CC1(C)C)(OC(=O)C)[H])(O)C)C)C)C)COC(=O)C |