Septentriodine
[(2R,3R,4S,6S,8R,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(4-methoxy-4-oxobutanoyl)amino]benzoate
Also Known As: Septentriodine|Cashmiradelphine|Aconitane-7,8-diol, 20-ethyl-1,6,14,16-tetramethoxy-4-(((2-((4-methoxy-1,4-dioxobutyl)amino)benzoyl)oxy)methyl)-, (1alpha,6beta,14alpha,16beta)-
| Molecular Formula | C37H52N2O11 |
|---|---|
| Molecular Weight | 700.3571 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 700.3571 |
| Monoisotopic Mass | 700.3571 |
| Heavy Atoms | 50 |
| Complexity | 1330.0 |
Chemical Identifiers
| CAS Number | 69787-05-9 |
|---|---|
| SMILES | CCN1C[C@@]2(CC[C@@H](C34[C@@H]2[C@@H](C(C31)([C@]5(C[C@@H](C6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7NC(=O)CCC(=O)OC |
| InChIKey | SVMCGAKQNRLCHV-GXEOGJEDSA-N |
Product Overview
Septentriodine (CAS 69787-05-9), with molecular formula C37H52N2O11 and molecular weight 700.3571 g/mol. IUPAC: [(2R,3R,4S,6S,8R,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(4-methoxy-4-oxobutanoyl)amino]benzoate.
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