(6aS-(6aalpha,7alpha,8beta,9aalpha))-2-Amino-1,6,6a,7,8,9a-hexahydro-7-hydroxy-8-(hydroxymethyl)-Retinol
[CAS# 100216-56-6]

Identification

• Name: (6aS-(6aalpha,7alpha,8beta,9aalpha))-2-Amino-1,6,6a,7,8,9a-hexahydro-7-hydroxy-8-(hydroxymethyl)-Retinol
• Synonyms: (2Z,6Z)-2,6-Bis[(4-Hydroxy-3-Methoxy-Phenyl)Methylene]Cyclohexan-1-One; [(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-Trimethyl-1-Cyclohexenyl)Nona-2,4,6,8-Tetraenyl] Acetate; 2-[4-(4-Hydroxy-3-Iodo-Phenoxy)-3,5-Diiodo-Phenyl]Acetic Acid; Acetic Acid [(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-Trimethyl-1-Cyclohexenyl)Nona-2,4,6,8-Tetraenyl] Ester; (2Z,6Z)-2,6-Bis[(4-Hydroxy-3-Methoxyphenyl)Methylene]-1-Cyclohexanone; 2-[4-(4-Hydroxy-3-Iodophenoxy)-3,5-Diiodophenyl]Acetic Acid
• Molecular Formula: C₅₈H₆₃I₃O₁₁
• Molecular Weight: 1316.84
• CAS Registry Number: 100216-56-6
• SMILES: C1=C(C=C(I)C(=C1I)OC2=CC(=C(O)C=C2)I)CC(=O)O.C3=C(OC)C(=CC=C3/C=C/5C(=O)C(=C\C4=CC=C(O)C(=C4)OC)/CCC5)O.C(OC(=O)C)/C=C(/C=C/C=C(/C=C/C6=C(CCCC6(C)C)C)C)C
• InChI: 1S/C22H22O5.C22H32O2.C14H9I3O4/c1-26-20-12-14(6-8-18(20)23)10-16-4-3-5-17(22(16)25)11-15-7-9-19(24)21(13-15)27-2;1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6;15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h6-13,23-24H,3-5H2,1-2H3;7,9-10,12-14H,8,11,15-16H2,1-6H3;1-4,6,18H,5H2,(H,19,20)/b16-10-,17-11-;10-7+,13-12+,17-9+,18-14+
• InChIKey: LTUHDNNQMPNYEU-NCLKYLIUSA-N