| SpectraBase Compound ID | HqJ40HVCidR |
|---|---|
| InChI | InChI=1S/C44H62O7/c1-31(19-15-21-33(3)23-25-43(48)39(7,8)27-37(49-35(5)45)29-41(43,11)47)17-13-14-18-32(2)20-16-22-34(4)24-26-44-40(9,10)28-38(50-36(6)46)30-42(44,12)51-44/h13-26,37-38,47-48H,27-30H2,1-12H3/b14-13+,19-15+,20-16+,25-23+,26-24+,31-17+,32-18+,33-21+,34-22+/t37-,38-,41+,42+,43+,44-/m0/s1 |
| InChIKey | XDPVHQVUQZEEQI-JVELDZLGSA-N |
| Mol Weight | 703.0 g/mol |
| Molecular Formula | C44H62O7 |
| Exact Mass | 702.449554 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4upteIV7EOh |
|---|---|
| Name | di-o-Acetyl of latoxanthin or (9'Z)-latoxanthin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 702.449554329 u |
| Formula | C44H62O7 |
| InChI | InChI=1S/C44H62O7/c1-31(19-15-21-33(3)23-25-43(48)39(7,8)27-37(49-35(5)45)29-41(43,11)47)17-13-14-18-32(2)20-16-22-34(4)24-26-44-40(9,10)28-38(50-36(6)46)30-42(44,12)51-44/h13-26,37-38,47-48H,27-30H2,1-12H3/b14-13+,19-15+,20-16+,25-23+,26-24+,31-17+,32-18+,33-21+,34-22+/t37-,38-,41+,42+,43+,44-/m0/s1 |
| InChIKey | XDPVHQVUQZEEQI-JVELDZLGSA-N |
| Molecular Weight | 702.973 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\[C@@]1([C@@](C[C@](CC1(C)C)(OC(=O)C)[H])(O)C)O)C)C)C)C |