| SpectraBase Spectrum ID |
6GIKZC6BEhZ |
| Name |
Carotenoid-1 |
| Alternate Name(s) |
3,5,6'-Trihydroxy-3'-oxo-6,7-didehydro-5,6-dihydro-10,11,12-tri-nor-.beta.,.epsilon.-carotene-19',11'-olide-3-Acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C39H48O7 |
| InChI |
InChI=1S/C39H48O7/c1-25(19-32-21-30(35(42)46-32)17-18-39(44)28(4)20-31(41)22-37(39,8)9)13-11-12-14-26(2)27(3)15-16-34-36(6,7)23-33(45-29(5)40)24-38(34,10)43/h11-21,23,43-44H,22,24H2,1-10H3/b12-11+,18-17+,25-13+,26-14+,27-15+,32-19-,34-16-/t38-,39-/m1/s1 |
| InChIKey |
YLNWDCOXMLLPRS-AHWJSQLWSA-N |
| Molecular Weight |
628.806 g/mol |
| SMILES |
O[C@]1(\C(=C/C=C/(\C(=C\C=C\C=C\(\C=C\2OC(C(\C=C\[C@]3(C(=CC(CC3(C)C)=O)C)O)=C2)=O)C)C)C)C(C=C(C1)OC(=O)C)(C)C)C |
| SPLASH |
splash10-0ika-1330049000-ab0d7f1421992c1edb7a |
| Source of Spectrum |
G4-64-581-1 |
| Wiley ID |
1608971 |
