Goniodomin A

Base Information

• Chemical Name: Goniodomin A
• CAS No.: 112923-40-7
• Molecular Formula: C43H60 O12
• Molecular Weight: 768.93
• Nikkaji Number: J354.419B
• Metabolomics Workbench ID: 169947
• Mol file: 112923-40-7.mol

Synonyms:goniodomin A;goniodomin B

Chemical Property of Goniodomin A

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 891.4°C at 760 mmHg
• PKA: 11.96±0.60(Predicted)
• Flash Point: 264.1°C
• PSA: 162.60000
• Density: 1.28g/cm³
• LogP: 4.26580
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 1
• Exact Mass: 768.40847734
• Heavy Atom Count: 55
• Complexity: 1570

Purity/Quality:

GONIODOMIN A 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCOC(C1C)(C2C=CCC(C(C(=C)C3CCC(O3)C4C=CCC(O4)C5CCC(=C)C6(O5)CC(C(=C)C(O6)C7C(CC(=C)C(O7)C(=O)O2)O)C)O)O)O
• Isomeric SMILES: CC1CCOC(C1C)(C2/C=C\CC(C(C(=C)C3CCC(O3)C4C=CCC(O4)C5CCC(=C)C6(O5)CC(C(=C)C(O6)C7C(CC(=C)C(O7)C(=O)O2)O)C)O)O)O

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