SpectraBase Compound ID | hHirJREUrz |
---|---|
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-/m0/s1 |
InChIKey | DJOWTWWHMWQATC-YYGHKXNRSA-N |
Mol Weight | 602.9 g/mol |
Molecular Formula | C40H58O4 |
Exact Mass | 602.43351 g/mol |
SpectraBase Spectrum ID | HOiO1uipVMV |
---|---|
Name | (13Z)-5,6-Diepikarp{oxanthin |
Comments | Edited after expert review for air contamination - Original record with SpectrumID 1524397 moved to the Legacy library |
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-/m0/s1 |
InChIKey | DJOWTWWHMWQATC-YYGHKXNRSA-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(CC(CC1(C)C)O)C)C)C)C)C)O)(O)C)[H] |
SPLASH | splash10-0uec-7220039000-d3b05cbf4e9d84e0afb3 |
Source of Spectrum | H-85-1338-4 |
Wiley ID | 1820944 |