Alloxanthin
[CAS# 28380-31-6]

Identification

• Name: Alloxanthin
• Synonyms: 7,7',8,8'-Tetrahydro-Beta,Beta-Carotene-3,3'-Diolbeta,Beta-Carotene-3,3'-Diol, 7,7',8,8'-Tetradehydro-, (3R,3'R)-; (1R)-4-[(3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-Hydroxy-2,6,6-Trimethyl-1-Cyclohexenyl]-3,7,12,16-Tetramethyl-Octadeca-3,5,7,9,11,13,15-Heptaen-1,17-Diynyl]-3,5,5-Trimethyl-Cyclohex-3-En-1-Ol; (1R)-4-[(3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-Hydroxy-2,6,6-Trimethyl-1-Cyclohexenyl]-3,7,12,16-Tetramethyloctadeca-3,5,7,9,11,13,15-Heptaen-1,17-Diynyl]-3,5,5-Trimethyl-1-Cyclohex-3-Enol
• Molecular Formula: C₄₀H₅₂O₂
• Molecular Weight: 564.85
• CAS Registry Number: 28380-31-6
• SMILES: [C@H]2(CC(=C(C#CC(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(C#CC1=C(C[C@@H](O)CC1(C)C)C)/C)C)C)\C)C(C2)(C)C)C)O
• InChI: 1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1
• InChIKey: DVICWXUADSCSLL-DDEWRDOISA-N