Bryostatin 13

Base Information

• Chemical Name: Bryostatin 13
• CAS No.: 107021-11-4
• Molecular Formula: C41H62 O15
• Molecular Weight: 794.93
• Wikidata: Q110188305
• Mol file: 107021-11-4.mol

Synonyms:Bryostatin 13;107021-11-4;[(1S,3S,5Z,7R,8E,11R,13E,15S,17R,21R,23R,25S)-1,11,21-trihydroxy-17-[(1S)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-25-yl] butanoate;Butanoic acid, (1S,3S,5Z,7R,8E,11R,13E,15S,17R,21R,23R,25S)-1,11,21-trihydroxy-17-(1R)-1-hydroxyethy;197640-86-1;Butanoic acid, (1S,3S,5Z,7R,8E,11R,13E,15S,17R,21R,23R,25S)-1,11,21-trihydroxy-17-((1R)-1-hydroxyethyl)-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo(21.3.1.13,7.111,15)nonacos-8-en-25-yl ester;Butanoic acid, (1S,3S,5Z,7R,8E,11R,13E,15S,17R,21R,23R,25S)-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-25-yl ester;Butanoic acid, 1,11,21-trihydroxy-17-(1-hydroxyethyl)-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo(21.3.1.13,7.111,15)nonacos-8-en-25-yl ester, (1S-(1R*,3R*,5Z,7S*,8E,11S*,13E,15R*,17S*(R*),21S*,23S*,25R*))-;Butanoic acid, 1,11,21-trihydroxy-17-(1-hydroxyethyl)-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-25-yl ester, [1S-[1R*,3R*,5Z,7S*,8E,11S*,13E,15R*,17S*(R*),21S*,23S*,25R*]]-;bryostatin 1 deriv.;[(Z,E)-trihydroxy-[(1S)-1-hydroxyethyl]-bis(2-methoxy-2-oxo-ethylidene)-tetramethyl-oxo-[?]yl] butanoate

Chemical Property of Bryostatin 13

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 888.7°Cat760mmHg
• Flash Point: 259.8°C
• PSA: 213.81000
• Density: 1.27g/cm³
• LogP: 3.62590
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 9
• Exact Mass: 794.40887127
• Heavy Atom Count: 56
• Complexity: 1520

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OC1CC2CC(CC(=O)OC(CC3CC(=CC(=O)OC)CC(O3)(C(C=CC4CC(=CC(=O)OC)CC(O4)CC(C1(C)C)(O2)O)(C)C)O)C(C)O)O
• Isomeric SMILES: CCCC(=O)O[C@H]1C[C@H]2C[C@H](CC(=O)O[C@H](C[C@@H]3C/C(=C\C(=O)OC)/C[C@@](O3)(C(/C=C/[C@H]4C/C(=C\C(=O)OC)/C[C@H](O4)C[C@@](C1(C)C)(O2)O)(C)C)O)[C@H](C)O)O