| SpectraBase Compound ID | 6noPpowFthK |
|---|---|
| InChI | InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16-,31-19+,32-20+/t34-,35+,39+,40+/m1/s1 |
| InChIKey | DJOWTWWHMWQATC-ZDNGZRLISA-N |
| Mol Weight | 602.9 g/mol |
| Molecular Formula | C40H58O4 |
| Exact Mass | 602.43351 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | MrNWdyzF5o |
|---|---|
| Name | (13Z)-Diepikarpoxanthin |
| Comments | Removed - expert review: contamination (air); A corrected record has been addded having SpectrumID: 1820945 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H58O4 |
| InChI | InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16-,31-19+,32-20+/t34-,35+,39+,40+/m1/s1 |
| InChIKey | DJOWTWWHMWQATC-ZDNGZRLISA-N |
| Molecular Weight | 602.900 g/mol |
| SMILES | O[C@@]1(C[C@@]([C@@](C(C1)(C)C)(\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)(O)[H])C)C)C)C)C)O)(O)C)[H] |
| SPLASH | splash10-0059-9000000000-099baa54e04665cec4a6 |
| Source of Spectrum | H-85-1338-4 |
| Synonyms | 5,6-Dihydro-.beta.,.beta.-carotene-3,5,6,3'-tetrol |
| Wiley ID | 1524285 |