(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-Ethyl-33-[(E,1R,2R)-1-Hydroxy-2-Methylhex-4-Enyl]-1,4,7,10,12,15,19,25,28-Nonamethyl-6,9,18-Tris(2-Methylpropyl)-3,21,24-Tri(Propan-2-Yl)-1,4,7,10,13,16,19,22,25,28,31-Undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-Undecone
[CAS# 159605-70-6]

Identification

• Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-Ethyl-33-[(E,1R,2R)-1-Hydroxy-2-Methylhex-4-Enyl]-1,4,7,10,12,15,19,25,28-Nonamethyl-6,9,18-Tris(2-Methylpropyl)-3,21,24-Tri(Propan-2-Yl)-1,4,7,10,13,16,19,22,25,28,31-Undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-Undecone
• Synonyms: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-Ethyl-33-[(E,1R,2R)-1-Hydroxy-2-Methyl-Hex-4-Enyl]-6,9,18-Triisobutyl-3,21,24-Triisopropyl-1,4,7,10,12,15,19,25,28-Nonamethyl-1,4,7,10,13,16,19,22,25,28,31-Undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-Undecone; (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-Ethyl-33-[(E,1R,2R)-1-Hydroxy-2-Methylhex-4-Enyl]-6,9,18-Triisobutyl-3,21,24-Triisopropyl-1,4,7,10,12,15,19,25,28-Nonamethyl-1,4,7,10,13,16,19,22,25,28,31-Undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-Undecone; (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-Ethyl-33-[(E,1R,2R)-1-Hydroxy-2-Methyl-Hex-4-Enyl]-1,4,7,10,12,15,19,25,28-Nonamethyl-6,9,18-Tris(2-Methylpropyl)-3,21,24-Tri(Propan-2-Yl)-1,4,7,10,13,16,19,22,25,28,31-Undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-Undecone
• Molecular Formula: C₆₁H₁₀₉N₁₁O₁₂
• Molecular Weight: 1188.60
• CAS Registry Number: 159605-70-6
• SMILES: [C@H]1(N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H](NC(=O)[C@@H](N(C1=O)C)[C@H](O)[C@@H](C\C=C\C)C)CC)C)C)C(C)C)C(C)C)C)CC(C)C)C)C)C)CC(C)C)C)CC(C)C)C)C(C)C
• InChI: 1S/C61H109N11O12/c1-25-27-28-39(15)51(74)50-55(78)64-42(26-2)57(80)66(18)32-46(73)70(22)48(37(11)12)54(77)65-47(36(9)10)60(83)67(19)43(29-33(3)4)53(76)62-40(16)52(75)63-41(17)56(79)68(20)44(30-34(5)6)58(81)69(21)45(31-35(7)8)59(82)71(23)49(38(13)14)61(84)72(50)24/h25,27,33-45,47-51,74H,26,28-32H2,1-24H3,(H,62,76)(H,63,75)(H,64,78)(H,65,77)/b27-25+/t39-,40+,41-,42+,43+,44+,45+,47+,48+,49+,50+,51-/m1/s1
• InChIKey: UUDGYAWEAWOYIK-UJUZIFHISA-N

Properties

• Density: 1.02g/cm³ (Cal.)
• Boiling point: 1289.65°C at 760 mmHg (Cal.)
• Flash point: 733.754°C (Cal.)