Chemical Property of Isogarcinol
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Chemical Property:
- Melting Point:242 - 244 °C
- PSA:100.90000
- LogP:8.58930
- XLogP3:8.9
- Hydrogen Bond Donor Count:2
- Hydrogen Bond Acceptor Count:6
- Rotatable Bond Count:8
- Exact Mass:602.36073931
- Heavy Atom Count:44
- Complexity:1310
- Purity/Quality:
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HPLC≥98% *data from raw suppliers
Isogarcinol ≥95% *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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Useful:
- Canonical SMILES:CC(=CCC1CC23CC(C(OC2=C(C(=O)C(C3=O)(C1(C)C)CC=C(C)C)C(=O)C4=CC(=C(C=C4)O)O)(C)C)CC=C(C)C)C
- Isomeric SMILES:CC(=CC[C@@H]1C[C@]23C[C@@H](C(OC2=C(C(=O)[C@@](C3=O)(C1(C)C)CC=C(C)C)C(=O)C4=CC(=C(C=C4)O)O)(C)C)CC=C(C)C)C