Chemical Property of Scammonin I
Chemical Property:
- Boiling Point:1056°Cat760mmHg
- Flash Point:291.9°C
- PSA：294.35000
- Density:1.29g/cm3
- LogP:2.49670
- XLogP3:4.9
- Hydrogen Bond Donor Count:7
- Hydrogen Bond Acceptor Count:21
- Rotatable Bond Count:14
- Exact Mass:1020.55050968
- Heavy Atom Count:71
- Complexity:1670
- Purity/Quality:
-
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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SDS file from LookChem
Useful:
- Canonical SMILES:CCCCCC1CCCCCCCCCC(=O)OC2C(C(OC(C2OC(=O)C(C)CC)OC3C(C(C(OC3OC4C(C(C(OC4O1)C)O)O)CO)O)O)C)OC5C(C(C(C(O5)C)OC(=O)C(=CC)C)O)O
- Isomeric SMILES:CCCCCC1CCCCCCCCCC(=O)OC2C(C(OC(C2OC(=O)C(C)CC)OC3C(C(C(OC3OC4C(C(C(OC4O1)C)O)O)CO)O)O)C)OC5C(C(C(C(O5)C)OC(=O)/C(=C/C)/C)O)O
