Chemical Property of Aconitane-3,13,14,15-tetrol, 8-ethoxy-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 3-acetate 14-benzoate, (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-
Chemical Property:
- Vapor Pressure:3.22E-21mmHg at 25°C
- Boiling Point:711°Cat760mmHg
- PKA:12.32±0.70(Predicted)
- Flash Point:383.8°C
- PSA:142.45000
- Density:1.32g/cm3
- LogP:1.63020
- XLogP3:1.2
- Hydrogen Bond Donor Count:2
- Hydrogen Bond Acceptor Count:12
- Rotatable Bond Count:13
- Exact Mass:673.34621144
- Heavy Atom Count:48
- Complexity:1250
- Purity/Quality:
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95%-98% *data from raw suppliers
Szechenyine *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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SDS file from LookChem
Useful:
- Canonical SMILES:CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OCC)OC)OC)OC(=O)C)COC
- Isomeric SMILES:CCN1C[C@@]2([C@@H](C[C@@H](C34C2[C@H](C(C31)[C@]5([C@H]([C@@H]([C@]6(C[C@@H]4C5[C@H]6OC(=O)C7=CC=CC=C7)O)OC)O)OCC)OC)OC)OC(=O)C)COC
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Uses
Szechenyine is a non-diterpinoid alkaloid used in traditional Chinese medicines as well as displaying cytotoxic activity.