(3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21,30-TRIISOPROPYL-1,4,7,10,12,15,19,25,28-NONAMETHYL-6,9,18,24-TETRAKIS(2-METHYLPROPYL)-1,4,7,10,13,16,19,22,25,28,31-UNDECAAZACYCLOTRITRIACONTAN-2,5,8,11,14,17,20,23,26,29,32-UNDECONE
(3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21,30-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
Also Known As: (3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21,30-TRIISOPROPYL-1,4,7,10,12,15,19,25,28-NONAMETHYL-6,9,18,24-TETRAKIS(2-METHYLPROPYL)-1,4,7,10,13,16,19,22,25,28,31-UNDECAAZACYCLOTRITRIACONTAN-2,5,8,11,14,17,20,23,26,29,32-UNDECONE
| Molecular Formula | C63H113N11O12 |
|---|---|
| Molecular Weight | 1215.857 g/mol |
| LogP | 3.52 |
| Topological Polar Surface Area | 278.8 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 1215.857 |
| Heavy Atoms | 86 |
| Complexity | 2358.5 |
Chemical Identifiers
| CAS Number | 63775-96-2 |
|---|---|
| SMILES | CC=CC[C@@H](C)[C@H](C1C(=O)N[C@H](C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C)C(C)C)O |
Product Overview
(3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21,30-TRIISOPROPYL-1,4,7,10,12,15,19,25,28-NONAMETHYL-6,9,18,24-TETRAKIS(2-METHYLPROPYL)-1,4,7,10,13,16,19,22,25,28,31-UNDECAAZACYCLOTRITRIACONTAN-2,5,8,11,14,17,20,23,26,29,32-UNDECONE (CAS 63775-96-2), with molecular formula C63H113N11O12 and molecular weight 1215.857 g/mol. IUPAC: (3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21,30-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.
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