13-O-Acetylphorbol-20-(9Z,12Z)-octadecadienoate

Base Information

• Chemical Name: 13-O-Acetylphorbol-20-(9Z,12Z)-octadecadienoate
• CAS No.: 250268-53-2
• Molecular Formula: C₄₀H₆₀O₈
• Molecular Weight: 668.912
• Nikkaji Number: J1.173.769B
• Wikidata: Q105360895
• Metabolomics Workbench ID: 128551
• ChEMBL ID: CHEMBL2375782
• Mol file: 250268-53-2.mol

Synonyms:13-O-Acetylphorbol-20-linoleate;13-O-Acetylphorbol-20-(9Z,12Z)-octadecadienoate;250268-53-2;9,12-Octadecadienoic acid (9Z,12Z)-, ((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b,9-trihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-3-yl)methyl ester;9,12-Octadecadienoic acid (9Z,12Z)-, [(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b,9-trihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-3-yl]methyl ester;CHEMBL2375782;13-0-Acetylphorbol-20-linoleate;(acetoxy-trihydroxy-tetramethyl-oxo-[?]yl)methyl (9Z,12Z)-octadeca-9,12-dienoate

Chemical Property of 13-O-Acetylphorbol-20-(9Z,12Z)-octadecadienoate

Chemical Property:

• Vapor Pressure: 2.42E-25mmHg at 25°C
• Boiling Point: 741°C at 760 mmHg
• Flash Point: 216.2°C
• Density: 1.16g/cm³
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 19
• Exact Mass: 668.42881887
• Heavy Atom Count: 48
• Complexity: 1310

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCC=CCC=CCCCCCCCC(=O)OCC1=CC2C3C(C3(C(C(C2(C4C=C(C(=O)C4(C1)O)C)O)C)O)OC(=O)C)(C)C
• Isomeric SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC1=C[C@H]2[C@H]3[C@](C3(C)C)([C@@H]([C@H]([C@@]2([C@@H]4C=C(C(=O)[C@]4(C1)O)C)O)C)O)OC(=O)C