Eichlerianic acid

Base Information

• Chemical Name: Eichlerianic acid
• CAS No.: 56421-13-7
• Molecular Formula: C30H50 O4
• Molecular Weight: 474.72
• ChEMBL ID: CHEMBL479140
• DSSTox Substance ID: DTXSID501098817
• Metabolomics Workbench ID: 137847
• Nikkaji Number: J108.034B
• Wikidata: Q27138800
• Mol file: 56421-13-7.mol

Synonyms:eichlerianic acid;56421-13-7;CHEBI:70463;CHEMBL479140;DTXSID501098817;3-[(3S,3aR,5aR,6S,7S,9aR,9bR)-3-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid;HY-N3801;AKOS032962140;FS-10020;CS-0024247;Q27138800;(3S,3aR,5aR,6S,7S,9aR,9bR)-Dodecahydro-6,9a,9b-trimethyl-7-(1-methylethenyl)-3-[(2S,5S)-tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1H-benz[e]indene-6-propanoic acid;1H-Benz[e]indene-6-propanoic acid, dodecahydro-6,9a,9b-trimethyl-7-(1-methylethenyl)-3-[tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-, [3S-[3(2R*,5R*),3a,5a,6,7,9a,9b]]-

Chemical Property of Eichlerianic acid

Chemical Property:

• PSA: 66.76000
• LogP: 7.00100
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 474.37091007
• Heavy Atom Count: 34
• Complexity: 834

Purity/Quality:

98% ^*data from raw suppliers

Eichlerianicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)C1CCC2(C(C1(C)CCC(=O)O)CCC3C2(CCC3C4(CCC(O4)C(C)(C)O)C)C)C
• Isomeric SMILES: CC(=C)[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CCC(=O)O)CC[C@H]3[C@]2(CC[C@@H]3[C@@]4(CC[C@H](O4)C(C)(C)O)C)C)C