(3S,3'S)-7,8-Didehydroastaxanthin
[CAS# 19866-02-5]

Identification

• Name: (3S,3'S)-7,8-Didehydroastaxanthin
• Synonyms: (6S)-6-Hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4S)-4-Hydroxy-2,6,6-Trimethyl-3-Oxo-1-Cyclohexenyl]-3,7,12,16-Tetramethyl-Octadeca-1,3,5,7,9,11,13,15-Octaen-17-Ynyl]-2,4,4-Trimethyl-Cyclohex-2-En-1-One; (6S)-6-Hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4S)-4-Hydroxy-2,6,6-Trimethyl-3-Oxo-1-Cyclohexenyl]-3,7,12,16-Tetramethyloctadeca-1,3,5,7,9,11,13,15-Octaen-17-Ynyl]-2,4,4-Trimethyl-1-Cyclohex-2-Enone; (6S)-6-Hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4S)-4-Hydroxy-3-Keto-2,6,6-Trimethyl-1-Cyclohexenyl]-3,7,12,16-Tetramethyl-Octadeca-1,3,5,7,9,11,13,15-Octaen-17-Ynyl]-2,4,4-Trimethyl-Cyclohex-2-En-1-One
• Molecular Formula: C₄₀H₅₀O₄
• Molecular Weight: 594.83
• CAS Registry Number: 19866-02-5
• SMILES: [C@H]2(C(C(=C(C#CC(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C([C@@H](O)CC1(C)C)=O)C)C)C)C)/C)C(C2)(C)C)C)=O)O
• InChI: 1S/C40H50O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-21,23,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1
• InChIKey: BZQRJBLJDFPOBX-AKKQMVQHSA-N