| SpectraBase Spectrum ID |
9aU0Fgfi9iU |
| Name |
Isofucoxanthin |
| Alternate Name(s) |
(3S,3'S,5R,5'R,6E)-3,5,5'-trihydroxy-8-oxo-6,6',7,7'-tetradehydro-5,5',6,6',7,8-hexahydro-beta,.beta.-caroten-3'-yl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H58O6 |
| InChI |
InChI=1S/C42H58O6/c1-29(18-14-19-31(3)22-23-37-40(8,9)27-35(48-33(5)43)28-42(37,11)47)16-12-13-17-30(2)20-15-21-32(4)36(45)24-38-39(6,7)25-34(44)26-41(38,10)46/h12-22,24,34-35,44,46-47H,25-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+,38-24+/t23?,34-,35-,41+,42+/m0/s1 |
| InChIKey |
IKLYRWVZKLKGBM-IFMYNVKCSA-N |
| Molecular Weight |
658.920 g/mol |
| SMILES |
O[C@]1(C(=C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(C(\C=C\2[C@@](C[C@](CC2(C)C)(O)[H])(O)C)=O)C)C)C)C)C(C[C@@](C1)(OC(=O)C)[H])(C)C)C |
| SPLASH |
splash10-006w-0950016000-0e97c92fd0a91208ad52 |
| Source of Spectrum |
SB-46-623-4 |
| Wiley ID |
1413496 |
