2-[[5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-hydroxy-3-methyloxolan-2-yl]methyl]-3,4-dihydroxycyclohex-2-en-1-one

Base Information

• Chemical Name: 2-[[5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-hydroxy-3-methyloxolan-2-yl]methyl]-3,4-dihydroxycyclohex-2-en-1-one
• CAS No.: 103886-93-7
• Molecular Formula: C21H32 O5
• Molecular Weight: 0
• Nikkaji Number: J93.369D
• Mol file: 103886-93-7.mol

Synonyms:103886-93-7;ACTG Toxin C;2-[[5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-hydroxy-3-methyloxolan-2-yl]methyl]-3,4-dihydroxycyclohex-2-en-1-one;2-Cyclohexen-1-one, 2-((5-(2,6-dimethyl-1,5-heptadienyl)tetrahydro-3-hydroxy-3-methyl-2-furanyl)methyl)-3,6-dihydroxy-

Chemical Property of 2-[[5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-hydroxy-3-methyloxolan-2-yl]methyl]-3,4-dihydroxycyclohex-2-en-1-one

Chemical Property:

• Vapor Pressure: 5.36E-14mmHg at 25°C
• Boiling Point: 541.8°C at 760 mmHg
• Flash Point: 184.7°C
• PSA: 86.99000
• Density: 1.202g/cm³
• LogP: 3.51360
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 364.22497412
• Heavy Atom Count: 26
• Complexity: 626

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC(=CC1CC(C(O1)CC2=C(C(CCC2=O)O)O)(C)O)C)C
• Isomeric SMILES: CC(=CCC/C(=C/C1CC(C(O1)CC2=C(C(CCC2=O)O)O)(C)O)/C)C