Punctaliatrin

Base Information

• Chemical Name: Punctaliatrin
• CAS No.: 49776-54-7
• Molecular Formula: C20H24O7
• Molecular Weight: 376.4004
• NSC Number: 354050
• DSSTox Substance ID: DTXSID70420453
• Mol file: 49776-54-7.mol

Synonyms:NSC354050;49776-54-7;PUNCTALIATRIN;DTXSID70420453;2-Butenoic acid, 2-(hydroxymethyl)-, 1a,5a,7,8,8a,9,10,10a-octahydro-4-(hydroxymethyl)-10a-methyl-8-methylene-7-oxooxireno[5,6]cyclodeca[1,2-b]furan-9-yl ester, [1aR-[1aR*,2Z,4E,5aR*,8aR*,9R*(Z),10aR*]]-;NSC-354050;2-Butenoic acid, 1a,5a,7,8,8a,9,10,10a-octahydro-4-(hydroxymethyl)-10a-methyl-8-methylene-7-oxooxireno[5,6]cyclodeca[1,2-b]furan-9-yl ester, [1aR-[1aR*,2Z,4E,5aR*,8aR*,9R*(Z),10aR*]]-

Chemical Property of Punctaliatrin

Chemical Property:

• Vapor Pressure: 3.6E-17mmHg at 25°C
• Boiling Point: 605.1°C at 760 mmHg
• Flash Point: 214.8°C
• Density: 1.31g/cm³
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 376.15220310
• Heavy Atom Count: 27
• Complexity: 747

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(CO)C(=O)OC1CC2(C(O2)C=CC(=CC3C1C(=C)C(=O)O3)CO)C
• Isomeric SMILES: C/C=C(\CO)/C(=O)OC1CC2(C(O2)/C=C\C(=C\C3C1C(=C)C(=O)O3)\CO)C