Chemical Property of Calenduloside F
Chemical Property:
- Vapor Pressure:0mmHg at 25°C
- Melting Point:218-220℃ (methanol , water )
- Boiling Point:873.3°C at 760 mmHg
- PKA:2.82±0.70(Predicted)
- Flash Point:255.6°C
- Density:1.37±0.1 g/cm3 (20 ºC 760 Torr)
- XLogP3:4.3
- Hydrogen Bond Donor Count:8
- Hydrogen Bond Acceptor Count:14
- Rotatable Bond Count:7
- Exact Mass:794.44525677
- Heavy Atom Count:56
- Complexity:1560
- Purity/Quality:
-
99%, *data from raw suppliers
Chikusetsusaponin IVa *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- Safety Statements:
24/25
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)C)C2C1)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C
- Isomeric SMILES:C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O