| Synonyms |
Kansuinine B|57685-46-8|Kansuinin B|C09122|[(1S,3S,4S,6S,9R,10S,12R,13S,14R,15R,16S)-1,14-diacetyloxy-10-benzoyloxy-9,15,16-trihydroxy-3,7,7,15-tetramethyl-11-methylidene-2,8-dioxo-5-oxatricyclo[11.3.0.04,6]hexadecan-12-yl] benzoate|AC1L9C65|CHEBI:6111|SCHEMBL1231379|CHEMBL3813747|DTXSID80331728|HY-126420|CS-0103764|Q27107077 |
| IUPAC Name |
[(1S,3S,4S,6S,9R,10S,12R,13S,14R,15R,16S)-1,14-diacetyloxy-10-benzoyloxy-9,15,16-trihydroxy-3,7,7,15-tetramethyl-11-methylidene-2,8-dioxo-5-oxatricyclo[11.3.0.04,6]hexadecan-12-yl] benzoate |
| Molecular Weight |
722.73 |
| Molecular Formula |
C38H42O14 |
| Canonical SMILES |
CC1C2C(O2)C(C(=O)C(C(C(=C)C(C3C(C(C(C3(C1=O)OC(=O)C)O)(C)O)OC(=O)C)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)O)(C)C |
| InChI |
InChI=1S/C38H42O14/c1-18-26(50-33(44)22-14-10-8-11-15-22)24-31(48-20(3)39)37(7,47)35(46)38(24,52-21(4)40)29(42)19(2)28-32(49-28)36(5,6)30(43)25(41)27(18)51-34(45)23-16-12-9-13-17-23/h8-17,19,24-28,31-32,35,41,46-47H,1H2,2-7H3/t19-,24-,25+,26-,27-,28-,31+,32+,35-,37-,38+/m0/s1 |
| InChIKey |
JFOILMZFESGPDU-GXRLDEOZSA-N |
| Purity |
≥98% (HPLC) |
| Solubility |
In vitro:
10 mM in DMSO |
| Appearance |
Solid powder |
| Storage |
Store at -20°C |
| Complexity |
1460 |
| Exact Mass |
722.25745601 |
| PSA |
212.56000 |
| Target |
SARS-CoV; Interleukin Related |
| XLogP3-AA |
2.1 |
![{PARAM:[Name]}()](https://resource.bocsci.com/structure/57685-46-8.gif)
