Trunculin A

Base Information

• Chemical Name: Trunculin A
• CAS No.: 105969-64-0
• Molecular Formula: C24H38 O4
• Molecular Weight: 390.5561
• NSC Number: 625516
• DSSTox Substance ID: DTXSID00420042
• Wikidata: Q82231297
• ChEMBL ID: CHEMBL1974802
• Mol file: 105969-64-0.mol

Synonyms:Trunculin A;105969-64-0;NSC625516;(2R)-2-[(3R,6R)-6-methyl-6-[2-(1,1,3,6-tetramethyl-4a,7,8,8a-tetrahydro-4H-naphthalen-2-yl)ethyl]dioxan-3-yl]propanoic acid;(3R,alphaR,6R)-6-[2-[[(4aR,8aS)-1,4,4abeta,7,8,8abeta-Hexahydro-1,1,3,6-tetramethylnaphthalen]-2-yl]ethyl]-alpha,6;CHEMBL1974802;DTXSID00420042;NSC-625516;1, 6-[2-(1,4,4a,7,8,8a-hexahydro- 1,1,3,6-tetramethyl-2-naphthalenyl)ethyl]-.alpha.,6- dimethyl-

Chemical Property of Trunculin A

Chemical Property:

• Vapor Pressure: 9.48E-11mmHg at 25°C
• Boiling Point: 485.3°Cat760mmHg
• Flash Point: 155.2°C
• PSA: 55.76000
• Density: 1.015g/cm³
• LogP: 6.07550
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 390.27700969
• Heavy Atom Count: 28
• Complexity: 674

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2CC(=C(C(C2CC1)(C)C)CCC3(CCC(OO3)C(C)C(=O)O)C)C
• Isomeric SMILES: CC1=CC2CC(=C(C(C2CC1)(C)C)CC[C@@]3(CC[C@@H](OO3)[C@@H](C)C(=O)O)C)C