Intybin

Base Information

• Chemical Name: Intybin
• CAS No.: 6466-74-6
• Molecular Formula: C23H22 O7
• Molecular Weight: 410.423
• UNII: SKG846KJ3G
• DSSTox Substance ID: DTXSID90983277
• Nikkaji Number: J331.282H
• Wikidata: Q410052
• Mol file: 6466-74-6.mol

Synonyms:intybin;lactucopicrin;lactucopicrin3,3a,4,5,9a,9b-hexahydro-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methyleneazuleno(4,5-b)furan-2,7-dione p-hydroxyphenylacetate hydrate

Chemical Property of Intybin

Chemical Property:

• Vapor Pressure: 2.23E-20mmHg at 25°C
• Boiling Point: 696.7°C at 760 mmHg
• Flash Point: 245.8°C
• PSA: 110.13000
• Density: 1.4g/cm³
• LogP: 1.78210
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 410.13655304
• Heavy Atom Count: 30
• Complexity: 844

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(C3C(C(C1)O)C(=C)C(=O)O3)C(=CC2=O)COC(=O)CC4=CC=C(C=C4)O
• Isomeric SMILES: CC1=C2[C@@H]([C@@H]3[C@@H]([C@H](C1)O)C(=C)C(=O)O3)C(=CC2=O)COC(=O)CC4=CC=C(C=C4)O