Chemical Property of Thevetin B
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Chemical Property:
- PSA:272.98000
- LogP:-1.24140
- XLogP3:-1.6
- Hydrogen Bond Donor Count:9
- Hydrogen Bond Acceptor Count:18
- Rotatable Bond Count:10
- Exact Mass:858.42491525
- Heavy Atom Count:60
- Complexity:1570
- Purity/Quality:
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≥98% *data from raw suppliers
ThevetinB 95+% *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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SDS file from LookChem
Useful:
- Canonical SMILES:CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O
- Isomeric SMILES:C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O
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Uses
Thevetin A is a cardiac glycoside that can lead to intoxication and poisoning.