Chemical Property of Ajugacumbin D
Chemical Property:
- Boiling Point:630.2°Cat760mmHg
- Flash Point:204.6°C
- PSA:111.66000
- Density:1.23g/cm3
- LogP:3.26330
- XLogP3:2.9
- Hydrogen Bond Donor Count:1
- Hydrogen Bond Acceptor Count:8
- Rotatable Bond Count:9
- Exact Mass:490.25666817
- Heavy Atom Count:35
- Complexity:953
- Purity/Quality:
-
85.0-99.8% *data from raw suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CC=C(C)C(=O)OCC12C(CCC(C13CO3)O)C(C(CC2OC(=O)C)C)(C)CCC4=CC(=O)OC4
- Isomeric SMILES:C/C=C(\C)/C(=O)OC[C@@]12[C@H](CC[C@@H](C13CO3)O)[C@@]([C@@H](C[C@@H]2OC(=O)C)C)(C)CCC4=CC(=O)OC4