Cavipetin A

Base Information

• Chemical Name: Cavipetin A
• CAS No.: 128530-02-9
• Molecular Formula: C30H42 O8
• Molecular Weight: 530.65000
• DSSTox Substance ID: DTXSID001102914
• Nikkaji Number: J303.843B
• Mol file: 128530-02-9.mol

Synonyms:Cavipetin A;CHEBI:183546;DTXSID001102914;128530-02-9;(E)-4-[(2E,6E,10E,14E)-16-[(E)-3-carboxy-2-methylprop-2-enoyl]oxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]-3-methyl-4-oxobut-2-enoic acid;2-Butenedioic acid, 2-methyl-, 1,1'-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-2,6,10,14-hexadecatetraene-1,16-diyl] ester, (2E,2'E)-

Chemical Property of Cavipetin A

Chemical Property:

• Melting Point: 137-138 °C
• Boiling Point: 691.5±55.0 °C(Predicted)
• PSA: 127.20000
• Density: 1.104±0.06 g/cm3(Predicted)
• LogP: 6.26040
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 19
• Exact Mass: 530.28796829
• Heavy Atom Count: 38
• Complexity: 1020

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC(=CCOC(=O)C(=CC(=O)O)C)C)CCC=C(C)CCC=C(C)COC(=O)C(=CC(=O)O)C
• Isomeric SMILES: C/C(=C\CC/C(=C/COC(=O)/C(=C/C(=O)O)/C)/C)/CC/C=C(\C)/CC/C=C(\C)/COC(=O)/C(=C/C(=O)O)/C