12-Deoxyphorbol-13-nonenoate

Base Information

• Chemical Name: 12-Deoxyphorbol-13-nonenoate
• CAS No.: 74486-17-2
• Molecular Formula: C29H42O6
• Molecular Weight: 486.6402

Synonyms:12-Deoxyphorbol-13-nonenoate;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-beta,7b-alpha,9a-alpha-trihydroxy-3-(hydroxymethyl)-1,1,6,8-alpha-tetramethyl-, 9a-nonenoate;74486-17-2;LS-58498

Chemical Property of 12-Deoxyphorbol-13-nonenoate

Chemical Property:

• Vapor Pressure: 4.02E-18mmHg at 25°C
• Boiling Point: 622.8°C at 760 mmHg
• Flash Point: 198.6°C
• Density: 1.2g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 486.29813906
• Heavy Atom Count: 35
• Complexity: 976

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC=CC(=O)OC12CC(C3(C(C1C2(C)C)C=C(CC4(C3C=C(C4=O)C)O)CO)O)C
• Isomeric SMILES: CCCCCC/C=C/C(=O)O[C@@]12C[C@H]([C@]3([C@H]([C@@H]1C2(C)C)C=C(C[C@]4([C@H]3C=C(C4=O)C)O)CO)O)C

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