Bombiprenone

Base Information

• Chemical Name: Bombiprenone
• CAS No.: 21978-49-4
• Molecular Formula: C43H70 O
• Molecular Weight: 603.02
• DSSTox Substance ID: DTXSID101018124
• Nikkaji Number: J28.599D,J416.593D
• Mol file: 21978-49-4.mol

Synonyms:Bombiprenone;21978-49-4;(5E,9E,13E,17E,21E,25E,29E)-6,10,14,18,22,26,30,34-Octamethyl-5,9,13,17,21,25,29,33-pentatriacontaocten-2-one;(5E,9E,13E,17E,21E,25E,29E)-6,10,14,18,22,26,30,34-octamethylpentatriaconta-5,9,13,17,21,25,29,33-octaen-2-one;SCHEMBL7944381;DTXSID101018124;AKOS032948289;(5E, 9E, 13E, 17E, 21E, 25E, 29E)-6, 10, 14, 18, 22, 26, 30, 34-octamethylpentatriaconta-5, 9, 13, 17, 21, 25, 29, 33-octaen-2-one

Chemical Property of Bombiprenone

Chemical Property:

• PSA: 17.07000
• LogP: 14.40730
• XLogP3: 14.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 24
• Exact Mass: 602.54266685
• Heavy Atom Count: 44
• Complexity: 1060

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C)C)C)C)C)C
• Isomeric SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CCC(=O)C)/C)/C)/C)/C)/C)/C)/C)C