Amaralin

Base Information

• Chemical Name: Amaralin
• CAS No.: 6831-10-3
• Molecular Formula: C15H20 O4
• Molecular Weight: 264.3169
• Nikkaji Number: J15.245E
• Wikidata: Q27105740
• Metabolomics Workbench ID: 28335

Synonyms:Amaralin;(1aR,1bS,2R,3aS,6aR,7aS,8R,8aS)-8-hydroxy-2,7a-dimethyl-6-methylidene-1a,1b,2,3,3a,6a,7,7a,8,8a-decahydrooxireno[1,2]azuleno[6,5-b]furan-5(6H)-one;AKOS040750386;LMPR0103420002;C09291;Q27105740

Chemical Property of Amaralin

Chemical Property:

• Vapor Pressure: 5.61E-10mmHg at 25°C
• Boiling Point: 449.7°Cat760mmHg
• PKA: 14.23±0.60(Predicted)
• Flash Point: 170.5°C
• PSA: 59.06000
• Density: 1.27g/cm³
• LogP: 1.27850
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 264.13615911
• Heavy Atom Count: 19
• Complexity: 473

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2C(CC3(C1C4C(C3O)O4)C)C(=C)C(=O)O2
• Isomeric SMILES: C[C@@H]1C[C@H]2[C@H](C[C@]3([C@H]1[C@@H]4[C@H]([C@@H]3O)O4)C)C(=C)C(=O)O2

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