Terpentecin

Base Information

• Chemical Name: Terpentecin
• CAS No.: 100440-25-3
• Molecular Formula: C20H28 O6
• Molecular Weight: 364.435
• DSSTox Substance ID: DTXSID60905502
• Nikkaji Number: J353.635A
• Wikidata: Q27122026
• Metabolomics Workbench ID: 28505
• Mol file: 100440-25-3.mol

Synonyms:terpentecin;UCT4-A

Chemical Property of Terpentecin

Chemical Property:

• Vapor Pressure: 1.5E-12mmHg at 25°C
• Boiling Point: 510.3°Cat760mmHg
• Flash Point: 175.9°C
• PSA: 104.20000
• Density: 1.227g/cm³
• LogP: 1.22300
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 364.18858861
• Heavy Atom Count: 26
• Complexity: 684

Purity/Quality:

>98% ^*data from raw suppliers

TERPENTECIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(=O)C2(C(C1(C)CC(C3(CO3)C(=O)C=O)O)CCC=C2C)C)O
• Isomeric SMILES: C[C@@H]1[C@H](C(=O)[C@]2([C@H]([C@]1(C)C[C@H]([C@@]3(CO3)C(=O)C=O)O)CCC=C2C)C)O

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