Triptonine B
methyl 2-[(1S,2R,3R,4R,7S,11R,15R,16R,17R,18S,21S,22R,32R,35S)-2,16,17,35-tetraacetyloxy-21,34-dihydroxy-7,21,22,32,34-pentamethyl-6,10,12,20,29-pentaoxo-5,13,19,30,33-pentaoxa-26-azahexacyclo[16.15.1.14,15.01,15.03,32.023,28]pentatriaconta-23(28),24,26-trien-11-yl]acetate
Also Known As: Triptonine B|5,7-Dimethoxyflavone|Methyl 2-[(1S,2R,3R,4R,7S,11R,15R,16R,17R,18S,21S,22R,32R,35S)-2,16,17,35-tetraacetyloxy-21,34-dihydroxy-7,21,22,32,34-pentamethyl-6,10,12,20,29-pentaoxo-5,13,19,30,33-pentaoxa-26-azahexacyclo[16.15.1.14,15.01,15.03,32.023,28]pentatriaconta-23(28),24,26-trien-11-yl]acetate|methyl 2-(tetraacetoxy-dihydroxy-pentamethyl-pentaoxo-[?]yl)acetate
| Molecular Formula | C45H55NO22 |
|---|---|
| Molecular Weight | 961.3216 g/mol |
| LogP | 0.2869 |
| Topological Polar Surface Area | 316.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 6 |
| Exact Mass | 961.3216 |
| Monoisotopic Mass | 961.3216 |
| Heavy Atoms | 68 |
| Complexity | 2290.7295 |
Chemical Identifiers
| CAS Number | 2743531-75-9 |
|---|---|
| SMILES | C[C@H]1CCC(=O)[C@H](C(=O)OC[C@]23[C@@H]([C@@H]([C@@H]4[C@H]([C@]25C([C@H]([C@@H]([C@@H]3OC(=O)C)OC(=O)C)OC(=O)[C@@]([C@@H](C6=C(C=NC=C6)C(=O)OC[C@@]4(O5)C)C)(C)O)(C)O)OC(=O)C)OC1=O)OC(=O)C)CC(=O)OC |
Product Overview
Triptonine B (CAS 2743531-75-9), with molecular formula C45H55NO22 and molecular weight 961.3216 g/mol. IUPAC: methyl 2-[(1S,2R,3R,4R,7S,11R,15R,16R,17R,18S,21S,22R,32R,35S)-2,16,17,35-tetraacetyloxy-21,34-dihydroxy-7,21,22,32,34-pentamethyl-6,10,12,20,29-pentaoxo-5,13,19,30,33-pentaoxa-26-azahexacyclo[16.15.1.14,15.01,15.03,32.023,28]pentatriaconta-23(28),24,26-trien-11-yl]acetate.