Chemical Property of [(1S,3Z,5R,7Z,9S,11S,13S,15R,17R,23R,24S,29R)-13-acetyloxy-1,11,17-trihydroxy-21-[(1R)-1-hydroxyethyl]-7-(2-methoxy-2-oxoethylidene)-2,2,12,12-tetramethyl-19,26-dioxo-20,25,30,31,32-pentaoxapentacyclo[21.6.1.15,9.111,15.024,28]dotriaconta-3,27-dien-29-yl] (2E,4E)-octa-2,4-dienoate
Chemical Property:
- Vapor Pressure:0mmHg at 25°C
- Boiling Point:993.2°C at 760 mmHg
- Flash Point:286.2°C
- Density:1.31g/cm3
- XLogP3:3.3
- Hydrogen Bond Donor Count:4
- Hydrogen Bond Acceptor Count:17
- Rotatable Bond Count:11
- Exact Mass:888.41435057
- Heavy Atom Count:63
- Complexity:1860
- Purity/Quality:
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Bryostatin 3 *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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Useful:
- Canonical SMILES:CCCC=CC=CC(=O)OC1C2=CC(=O)OC2C3CC(OC(=O)CC(CC4CC(C(C(O4)(CC5CC(=CC(=O)OC)CC(O5)C=CC(C1(O3)O)(C)C)O)(C)C)OC(=O)C)O)C(C)O
- Isomeric SMILES:CCC/C=C/C=C/C(=O)O[C@@H]1C2=CC(=O)O[C@@H]2[C@H]3CC(OC(=O)C[C@@H](C[C@@H]4C[C@@H](C([C@@](O4)(C[C@@H]5C/C(=C/C(=O)OC)/C[C@@H](O5)/C=C\C([C@@]1(O3)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O
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Uses
Bryostatin 3 is one of the compounds in unique family of emerging cancer chemotherapeutic candidates isolated from marine bryozoa.