15-(1H-Indol-3-Ylmethyl)-18-[(1Z,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-1,4,7,10,14,17,21-Heptazacyclopentacosane-11,22-Dicarboxylic Acid
[CAS# 157622-02-1]

Identification

• Name: 15-(1H-Indol-3-Ylmethyl)-18-[(1Z,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-1,4,7,10,14,17,21-Heptazacyclopentacosane-11,22-Dicarboxylic Acid
• Synonyms: 15-(1H-Indol-3-Ylmethyl)-8-Isobutyl-18-[(1Z,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-1,4,7,10,14,17,21-Heptazacyclopentacosane-11,22-Dicarboxylic Acid; 15-(1H-Indol-3-Ylmethyl)-8-Isobutyl-18-[(1Z,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-1,4,7,10,14,17,21-Heptazacyclopentacosane-11,22-Dicarboxylic Acid; 15-(1H-Indol-3-Ylmethyl)-8-Isobutyl-3,6,9,13,16,20,25-Heptaketo-18-[(1Z,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: C₅₄H₇₂N₈O₁₂
• Molecular Weight: 1025.21
• CAS Registry Number: 157622-02-1
• SMILES: C1=C(C2=C([NH]1)C=CC=C2)CC3NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(N(C(=O)CCC(NC(=O)C(C(NC3=O)\C=C/C(=C/C(C(OC)CC4=CC=CC=C4)C)C)C)C(=O)O)C)=C)C)CC(C)C)C(=O)O)C
• InChI: 1S/C54H72N8O12/c1-29(2)24-42-52(69)61-46(54(72)73)33(6)48(65)59-43(27-37-28-55-40-19-15-14-18-38(37)40)51(68)57-39(21-20-30(3)25-31(4)44(74-10)26-36-16-12-11-13-17-36)32(5)47(64)58-41(53(70)71)22-23-45(63)62(9)35(8)50(67)56-34(7)49(66)60-42/h11-21,25,28-29,31-34,39,41-44,46,55H,8,22-24,26-27H2,1-7,9-10H3,(H,56,67)(H,57,68)(H,58,64)(H,59,65)(H,60,66)(H,61,69)(H,70,71)(H,72,73)/b21-20-,30-25+
• InChIKey: CJIASZBWXIFQMU-ZVXOBQGSSA-N

Properties

• Density: 1.285g/cm³ (Cal.)
• Boiling point: 1336.13°C at 760 mmHg (Cal.)
• Flash point: 761.864°C (Cal.)