| SpectraBase Spectrum ID |
J5AMgoy6zDD |
| Name |
Crassostreaxanthin A |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H54O4 |
| InChI |
InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-37-32(5)23-35(42)26-39(37,8)9)15-11-12-16-29(2)19-14-20-31(4)38(43)27-40(10)33(6)24-36(44-40)25-34(7)41/h11-20,33,35-36,42H,23-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+/t33?,35-,36?,40?/m1/s1 |
| InChIKey |
KFNGKYUGHHQDEE-NIVGLBGKSA-N |
| Molecular Weight |
598.868 g/mol |
| SMILES |
O[C@]1(CC(C(C#C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(C(CC2(OC(CC(=O)C)CC2C)C)=O)C)C)C)C)=C(C1)C)(C)C)[H] |
| SPLASH |
splash10-01ox-7900100000-c195184a8cc80403f950 |
| Source of Spectrum |
AT-33-4944-1 |
| Synonyms |
(3E,5E,7E,9E,11E,13E,15E)-1-[2,3-dimethyl-5-(2-oxopropyl)tetrahydro-2-furanyl]-18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-3,7,12,16-tetramethyl-3,5,7,9,11,13,15-octadecaheptaen-17-yn-2-one |
| Wiley ID |
836302 |
