Chemical Property of 9-Dihydro-13-acetylbaccatin III
Chemical Property:
- Vapor Pressure:7.81E-21mmHg at 25°C
- Refractive Index:1.594
- Boiling Point:704.541 °C at 760 mmHg
- PKA:12.61±0.70(Predicted)
- Flash Point:217.569 °C
- PSA:175.12000
- Density:1.366 g/cm3
- LogP:2.01520
- Storage Temp.:2-8°C
- Solubility.:Chloroform (Slightly), Methanol (Slightly)
- XLogP3:1.5
- Hydrogen Bond Donor Count:3
- Hydrogen Bond Acceptor Count:12
- Rotatable Bond Count:9
- Exact Mass:630.26762677
- Heavy Atom Count:45
- Complexity:1270
- Purity/Quality:
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98%,99%, *data from raw suppliers
13-Acetyl-9-dihydrobaccatin III *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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Useful:
- Canonical SMILES:CC1=C2C(C(C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O)OC(=O)C
- Isomeric SMILES:CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)C)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O)OC(=O)C
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Description
13-acetyl-9-Dihydrobaccatin III is a taxane originally isolated from T. canadensis. It inhibits proliferation of P388 leukemia cells with an IC50 value of 20 μg/ml.
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Uses
13-Acetyl-9-dihydrobaccatin-III is an apoptosis inducer.