Tert-Butyl 2-[(3R,6S,9S,15S,18S,21S,24S,27S,30S)-15,18-Bis[(2S)-Butan-2-Yl]-6-[(4-Methoxyphenyl)Methyl]-3,10,16,19,22,28-Hexamethyl-2,5,8,11,14,17,20,23,26,29-Decaoxo-9,24,27-Tri(Propan-2-Yl)-4-Oxa-1,7,10,13,16,19,22,25,28-Nonazabicyclo[28.4.0]Tetratriacontan-21-Yl]Acetate
[CAS# 129893-84-1]

Identification

• Name: Tert-Butyl 2-[(3R,6S,9S,15S,18S,21S,24S,27S,30S)-15,18-Bis[(2S)-Butan-2-Yl]-6-[(4-Methoxyphenyl)Methyl]-3,10,16,19,22,28-Hexamethyl-2,5,8,11,14,17,20,23,26,29-Decaoxo-9,24,27-Tri(Propan-2-Yl)-4-Oxa-1,7,10,13,16,19,22,25,28-Nonazabicyclo[28.4.0]Tetratriacontan-21-Yl]Acetate
• Synonyms: Tert-Butyl 2-[(3R,6S,9S,15S,18S,21S,24S,27S,30S)-9,24,27-Triisopropyl-6-[(4-Methoxyphenyl)Methyl]-3,10,16,19,22,28-Hexamethyl-2,5,8,11,14,17,20,23,26,29-Decaoxo-15,18-Disec-Butyl-4-Oxa-1,7,10,13,16,19,22,25,28-Nonazabicyclo[28.4.0]Tetratriacontan-21-Yl]Acetate; 2-[(3R,6S,9S,15S,18S,21S,24S,27S,30S)-9,24,27-Triisopropyl-6-[(4-Methoxyphenyl)Methyl]-3,10,16,19,22,28-Hexamethyl-2,5,8,11,14,17,20,23,26,29-Decaoxo-15,18-Disec-Butyl-4-Oxa-1,7,10,13,16,19,22,25,28-Nonazabicyclo[28.4.0]Tetratriacontan-21-Yl]Acetic Acid Tert-Butyl Ester; 2-[(3R,6S,9S,15S,18S,21S,24S,27S,30S)-9,24,27-Triisopropyl-2,5,8,11,14,17,20,23,26,29-Decaketo-6-(4-Methoxybenzyl)-3,10,16,19,22,28-Hexamethyl-15,18-Disec-Butyl-4-Oxa-1,7,10,13,16,19,22,25,28-Nonazabicyclo[28.4.0]Tetratriacontan-21-Yl]Acetic Acid Tert-Butyl Ester
• Molecular Formula: C₆₁H₉₉N₉O₁₄
• Molecular Weight: 1182.51
• CAS Registry Number: 129893-84-1
• SMILES: [C@H]1(N(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@H]3N(C(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)CNC(=O)[C@@H](N(C1=O)C)[C@H](CC)C)C)C(C)C)CC2=CC=C(OC)C=C2)C)CCCC3)C)C(C)C)C(C)C)C)CC(OC(C)(C)C)=O)C)[C@H](CC)C
• InChI: 1S/C61H99N9O14/c1-21-37(9)50-52(73)62-33-45(71)66(16)48(35(5)6)53(74)63-42(31-40-26-28-41(82-20)29-27-40)60(81)83-39(11)55(76)70-30-24-23-25-43(70)56(77)67(17)49(36(7)8)54(75)64-47(34(3)4)58(79)65(15)44(32-46(72)84-61(12,13)14)57(78)69(19)51(38(10)22-2)59(80)68(50)18/h26-29,34-39,42-44,47-51H,21-25,30-33H2,1-20H3,(H,62,73)(H,63,74)(H,64,75)/t37-,38-,39+,42-,43-,44-,47-,48-,49-,50-,51-/m0/s1
• InChIKey: UGWMRFXIOXUDPM-OUABENRGSA-N

Properties

• Density: 1.197g/cm³ (Cal.)
• Boiling point: 1261.959°C at 760 mmHg (Cal.)
• Flash point: 717.007°C (Cal.)