[(3aS,4S,6Z,10Z,12S,14Z,15aS)-4-hydroxy-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-12-yl] acetate

Base Information

• Chemical Name: [(3aS,4S,6Z,10Z,12S,14Z,15aS)-4-hydroxy-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-12-yl] acetate
• CAS No.: 104992-91-8
• Molecular Formula: C₂₂H₃₀O₅
• Molecular Weight: 374.477
• Wikidata: Q105372578
• Mol file: 104992-91-8.mol

Synonyms:kericembrenolide D

Chemical Property of [(3aS,4S,6Z,10Z,12S,14Z,15aS)-4-hydroxy-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-12-yl] acetate

Chemical Property:

• Vapor Pressure: 3.78E-14mmHg at 25°C
• Boiling Point: 545°Cat760mmHg
• Flash Point: 184.9°C
• PSA: 72.83000
• Density: 1.12g/cm³
• LogP: 3.78970
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 374.20932405
• Heavy Atom Count: 27
• Complexity: 698

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(CC(=CC2C(C(CC(=CCC1)C)O)C(=C)C(=O)O2)C)OC(=O)C
• Isomeric SMILES: C/C/1=C/[C@H](C/C(=C\[C@H]2[C@H]([C@H](C/C(=C\CC1)/C)O)C(=C)C(=O)O2)/C)OC(=O)C