(3E,5Z,7R,8S,9S,11Z,13Z,15S,16R)-16-[(3R,4S)-4-[(2R,4R,5S,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2-hydroxy-5-methyl-6-[(1E,3E)-penta-1,3-dienyl]oxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one

Base Information

• Chemical Name: (3E,5Z,7R,8S,9S,11Z,13Z,15S,16R)-16-[(3R,4S)-4-[(2R,4R,5S,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2-hydroxy-5-methyl-6-[(1E,3E)-penta-1,3-dienyl]oxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
• CAS No.: 108375-77-5
• Molecular Formula: C43H68 O12
• Molecular Weight: 776.99
• Wikidata: Q105106281
• Mol file: 108375-77-5.mol

Synonyms:PC 766B;PC-766B

Chemical Property of (3E,5Z,7R,8S,9S,11Z,13Z,15S,16R)-16-[(3R,4S)-4-[(2R,4R,5S,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2-hydroxy-5-methyl-6-[(1E,3E)-penta-1,3-dienyl]oxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 884.3°Cat760mmHg
• Flash Point: 255.2°C
• PSA: 173.60000
• Density: 1.17g/cm³
• LogP: 5.05000
• Solubility.: Soluble in DMSO
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 10
• Exact Mass: 776.47107760
• Heavy Atom Count: 55
• Complexity: 1420

Purity/Quality:

98% ^*data from raw suppliers

PC-766B ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC=CC1C(C(CC(O1)(C(C)C(C(C)C2C(C=CC=C(CC(C(C(C=C(C=C(C(=O)O2)OC)C)C)O)C)C)OC)O)O)OC3CC(C(C(O3)C)O)O)C
• Isomeric SMILES: C/C=C/C=C/[C@@H]1[C@H]([C@@H](C[C@@](O1)([C@@H](C)[C@@H](C(C)[C@@H]2[C@H](/C=C\C=C(/C[C@@H]([C@@H]([C@@H](/C=C(\C=C(/C(=O)O2)\OC)/C)C)O)C)\C)OC)O)O)O[C@@H]3C[C@H]([C@@H]([C@H](O3)C)O)O)C
• Description: PC-766B is a macrolide antibiotic produced by N. brasiliensis that is active against Gram-positive bacteria and some fungi, yet inactive against Gram-negative bacteria. It also demonstrates antitumor activity against mouse P388 leukemia and B16 melanoma cells in vitro (IC50s = 0.1 and 0.4 ng/ml, respectively) and in vivo, but weakly inhibits the Na+,K+-ATPase compared to structurally related antibiotics.
• Uses: PC-766B is a 16-membered macrolide antibiotic produced by Nocardia brasiliensis, reported by researchers at Sumitomo in 1993. Structurally, PC-766B is a member of bafilomycin class, featuring a rare butadiene side-chain. PC-766B is active against Gram positive bacteria, and some fungi and yeasts, but is inactive against Gram negative bacteria. It shows activity against murine tumor cells in vitro and in vivo, and weak inhibitory activity against Na/K-ATPase in vitro. PC-766B is an antibiotic with activity against gram positive bacteria and some fungi and yeasts.