18-[(1E,3E)-6-Methoxy-3,5-Dimethyl-7-Phenylhepta-1,3-Dienyl]-1,5,12,19-Tetramethyl-2-Methylidene-8-(2-Methylpropyl)-3,6,9,13,16,20,25-Heptaoxo-15-(Phenylmethyl)-1,4,7,10,14,17,21-Heptazacyclopentacosane-11,22-Dicarboxylic Acid
[CAS# 154037-70-4]

Identification

• Classification: Analytical chemistry >> Standard >> Food and cosmetics standards
• Name: 18-[(1E,3E)-6-Methoxy-3,5-Dimethyl-7-Phenylhepta-1,3-Dienyl]-1,5,12,19-Tetramethyl-2-Methylidene-8-(2-Methylpropyl)-3,6,9,13,16,20,25-Heptaoxo-15-(Phenylmethyl)-1,4,7,10,14,17,21-Heptazacyclopentacosane-11,22-Dicarboxylic Acid
• Synonyms: 8-Isobutyl-18-[(1E,3E)-6-Methoxy-3,5-Dimethyl-7-Phenyl-Hepta-1,3-Dienyl]-1,5,12,19-Tetramethyl-2-Methylene-3,6,9,13,16,20,25-Heptaoxo-15-(Phenylmethyl)-1,4,7,10,14,17,21-Heptazacyclopentacosane-11,22-Dicarboxylic Acid; 8-Isobutyl-18-[(1E,3E)-6-Methoxy-3,5-Dimethyl-7-Phenylhepta-1,3-Dienyl]-1,5,12,19-Tetramethyl-2-Methylene-3,6,9,13,16,20,25-Heptaoxo-15-(Phenylmethyl)-1,4,7,10,14,17,21-Heptazacyclopentacosane-11,22-Dicarboxylic Acid; 15-(Benzyl)-8-Isobutyl-3,6,9,13,16,20,25-Heptaketo-18-[(1E,3E)-6-Methoxy-3,5-Dimethyl-7-Phenyl-Hepta-1,3-Dienyl]-1,5,12,19-Tetramethyl-2-Methylene-1,4,7,10,14,17,21-Heptazacyclopentacosane-11,22-Dicarboxylic Acid
• Molecular Formula: C₅₂H₇₁N₇O₁₂
• Molecular Weight: 986.17
• CAS Registry Number: 154037-70-4
• SMILES: C3=C(CC1NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(N(C(=O)CCC(NC(=O)C(C(NC1=O)\C=C\C(=C\C(C(OC)CC2=CC=CC=C2)C)C)C)C(=O)O)C)=C)C)CC(C)C)C(=O)O)C)C=CC=C3
• InChI: 1S/C52H71N7O12/c1-29(2)25-40-50(66)58-44(52(69)70)33(6)46(62)56-41(27-36-17-13-11-14-18-36)49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+
• InChIKey: FEVBMCJUKWWWBT-BNIOFCGNSA-N

Properties

• Density: 1.255g/cm³ (Cal.)
• Boiling point: 1276.655°C at 760 mmHg (Cal.)
• Flash point: 725.895°C (Cal.)