Phorbol-12,13-dihexanoate

Base Information

• Chemical Name: Phorbol-12,13-dihexanoate
• CAS No.: 37558-17-1
• Molecular Formula: C32H48 O8
• Molecular Weight: 557.77
• Hs Code.: 2916200090
• DSSTox Substance ID: DTXSID10958629
• Nikkaji Number: J663.933J
• ChEMBL ID: CHEMBL3586008
• Mol file: 37558-17-1.mol

Synonyms:Phorbol-12,13-dihexanoate;37558-17-1;Phorbol 12,13-dihexanoate;[(1S,2S,6R,10S,11R,13S,14R,15R)-13-hexanoyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] hexanoate;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-, 9,9a-dihexanoate;C32H45O8;C32-H45-O8;SCHEMBL2411275;CHEMBL3586008;DTXSID10958629;LS-58478;[hexanoyloxy-dihydroxy-(hydroxymethyl)-tetramethyl-oxo-[?]yl] hexanoate;4a,7b-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulene-9,9a-diyl dihexanoate

Chemical Property of Phorbol-12,13-dihexanoate

Chemical Property:

• Vapor Pressure: 2.73E-20mmHg at 25°C
• Refractive Index: 1.4900 (estimate)
• Boiling Point: 661.1°Cat760mmHg
• Flash Point: 203.6°C
• PSA: 130.36000
• Density: 1.21g/cm³
• LogP: 4.19250
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 13
• Exact Mass: 560.33491849
• Heavy Atom Count: 40
• Complexity: 1090

Purity/Quality:

98%Min ^*data from raw suppliers

PHORBOL 12,13-DIHEXANOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)CCCCC)O)C
• Isomeric SMILES: CCCCCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)O)CO)[C@H]4[C@@]1(C4(C)C)OC(=O)CCCCC)O)C