12-O-Tiglyl-phorbol-13-butyrate

Base Information

• Chemical Name: 12-O-Tiglyl-phorbol-13-butyrate
• CAS No.: 37415-55-7
• Molecular Formula: C28H40O8
• Molecular Weight: 504.68
• Mol file: 37415-55-7.mol

Synonyms:12-O-Tiglyl-phorbol-13-butyrate;Phorbol-12-O-tiglyl-13-butyrate;37415-55-7;5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-alpha,1b-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-4a-alpha,7b-alpha,9-beta,9a-alpha-tetrahydroxy-3-hydroxymethyl-1,1,6,8-alpha-tetramethyl-, 9-((E-)-2-methyl-2-butenoate), 9a-butyrate

Chemical Property of 12-O-Tiglyl-phorbol-13-butyrate

Chemical Property:

• Vapor Pressure: 3.64E-19mmHg at 25°C
• Refractive Index: 1.4480 (estimate)
• Boiling Point: 641.6°Cat760mmHg
• Flash Point: 204.5°C
• PSA: 130.36000
• Density: 1.27g/cm³
• LogP: 2.79820
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 516.27231823
• Heavy Atom Count: 37
• Complexity: 1110

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OC12C(C1(C)C)C3C=C(CC4(C(C3(C(C2OC(=O)C(=CC)C)C)O)C=C(C4=O)C)O)CO
• Isomeric SMILES: CCCC(=O)OC12C([C@H]([C@]3([C@H](C1C2(C)C)C=C(C[C@]4([C@H]3C=C(C4=O)C)O)CO)O)C)OC(=O)/C(=C/C)/C