| SpectraBase Spectrum ID |
2CiFWRj5G4 |
| Name |
Fucoxanthin hemiketal |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H58O6 |
| InChI |
InChI=1S/C42H58O6/c1-29(18-14-19-31(3)22-23-36-39(8,9)26-35(47-33(5)43)27-40(36,10)45)16-12-13-17-30(2)20-15-21-32(4)42(46)28-37-38(6,7)24-34(44)25-41(37,11)48-42/h12-22,28,34-35,44-46H,24-27H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23?,34?,35-,40+,41+,42?/m0/s1 |
| InChIKey |
KJMSHSJWYQDBJN-MVHSNVFYSA-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\(C2(O[C@]3(C(=C2)C(C)(C)CC(C3)O)C)O)C)C)C)C)C(C[C@@](C1)(OC(=O)C)[H])(C)C)C |
| SPLASH |
splash10-01wb-0890014000-62e417cd0e551294df89 |
| Source of Spectrum |
SB-46-623-2 |
| Synonyms |
(1S,3R)-4-{(3E,5E,7E,9E,11E,13E,15E)-16-[(7aR)-2,6-dihydroxy-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-yl]-3,7,12-trimethyl-1,3,5,7,9,11,13,15-heptadecaoctaenylidene}-3-hydroxy-3,5,5-trimethylcyclohexyl acetate |
| Wiley ID |
1413497 |
