12-o-Tiglyl-phorbol-13-dodecanoate

Base Information

• Chemical Name: 12-o-Tiglyl-phorbol-13-dodecanoate
• CAS No.: 37394-32-4
• Molecular Formula: C37H56O8
• Molecular Weight: 628.93
• Mol file: 37394-32-4.mol

Synonyms:12-o-Tiglyl-phorbol-13-dodecanoate;Phorbol 12-O-tiglyl-13-dodecanoate;Phorbol, 12-o-tiglyl-13-dodecanoate;37394-32-4;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-dodecanoate;C37H56O8;Dodecanoic acid, 1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-9-((2-methyl-1-oxo-2-butenyl)oxy)-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester, (1aR-(1alpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta(E),9aalpha))-;C37-H56-O8

Chemical Property of 12-o-Tiglyl-phorbol-13-dodecanoate

Chemical Property:

• Vapor Pressure: 1.48E-23mmHg at 25°C
• Boiling Point: 714.1°Cat760mmHg
• Flash Point: 212.4°C
• Density: 1.17g/cm³
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 16
• Exact Mass: 628.39751874
• Heavy Atom Count: 45
• Complexity: 1240

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC(=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: CCCCCCCCCCCC(=O)O[C@@]12[C@@H](C1(C)C)[C@@H]3C=C(C[C@]4([C@H]([C@]3([C@@H](C2OC(=O)/C(=C/C)/C)C)O)C=C(C4=O)C)O)CO