14-O-Acetylbrowniine
[(1S,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate
Also Known As: Acetylbrowniine|14-O-Acetylbrowniine|14-Acetylbrowniine|Browniine 14-acetate|Browniine 14-O-acetate|Browniine 14-acetic acid|Browniine 14-O-acetic acid|[(1S,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate|20-ethyl-7,8-dihydroxy-1alpha,6beta,16beta-trimethoxy-4-(methoxymethyl)aconitan-14alpha-yl acetate|((1S,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo(7.7.2.12,5.01,10.03,8.013,17)nonadecan-4-yl) acetate
| Molecular Formula | C27H43NO8 |
|---|---|
| Molecular Weight | 509.29886 g/mol |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 509.29886 |
| Monoisotopic Mass | 509.29886 |
| Heavy Atoms | 36 |
| Complexity | 918.0 |
Chemical Identifiers
| CAS Number | 65601-04-9 |
|---|---|
| SMILES | CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@](C31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC(=O)C)OC)O)O)OC)OC)COC |
| InChIKey | BQMFTYVYHRJVMQ-VEUWJJFUSA-N |
Product Overview
14-O-Acetylbrowniine (CAS 65601-04-9), with molecular formula C27H43NO8 and molecular weight 509.29886 g/mol. IUPAC: [(1S,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate.