Chemical Property of Taccalonolide A
Chemical Property:
- Boiling Point:776.8°Cat760mmHg
- PKA:11.56±0.70(Predicted)
- Flash Point:237.8°C
- PSA:201.56000
- Density:1.41g/cm3
- LogP:1.41260
- XLogP3:1.7
- Hydrogen Bond Donor Count:2
- Hydrogen Bond Acceptor Count:14
- Rotatable Bond Count:8
- Exact Mass:702.28875614
- Heavy Atom Count:50
- Complexity:1620
- Purity/Quality:
-
≥98% *data from raw suppliers
Taccalonolide A *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CC1C=C2C(C3C1C4(C(C3OC(=O)C)C5C(C(C4OC(=O)C)OC(=O)C)C6(C(CC7C(C6OC(=O)C)O7)C(=O)C5O)C)C)(C(C(=O)O2)(C)O)C
- Isomeric SMILES:C[C@@H]1C=C2[C@@]([C@H]3[C@H]1[C@@]4([C@@H]([C@H]3OC(=O)C)[C@H]5[C@H]([C@@H]([C@@H]4OC(=O)C)OC(=O)C)[C@@]6([C@H](C[C@H]7[C@@H]([C@@H]6OC(=O)C)O7)C(=O)[C@@H]5O)C)C)([C@](C(=O)O2)(C)O)C