ganoderal A

Base Information

• Chemical Name: ganoderal A
• CAS No.: 104700-98-3
• Molecular Formula: C30H44 O2
• Molecular Weight: 436.66916
• ChEMBL ID: CHEMBL463972
• DSSTox Substance ID: DTXSID401318282
• Metabolomics Workbench ID: 136457
• Nikkaji Number: J39.432G
• Wikidata: Q105236517
• Mol file: 104700-98-3.mol

Synonyms:ganoderal A;104700-98-3;SCHEMBL902880;CHEMBL463972;CHEBI:175522;DTXSID401318282;(E,6R)-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]hept-2-enal;HY-N2221;AKOS040760402;MS-27828;CS-0019543

Chemical Property of ganoderal A

Chemical Property:

• Melting Point: 127-128℃
• Boiling Point: 551.0±50.0 °C(Predicted)
• PSA: 34.14000
• Density: 1.03±0.1 g/cm3(Predicted)
• LogP: 7.64230
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 436.334130642
• Heavy Atom Count: 32
• Complexity: 902

Purity/Quality:

≥95% ^*data from raw suppliers

Ganoderal A ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC=C(C)C=O)C1CCC2(C1(CC=C3C2=CCC4C3(CCC(=O)C4(C)C)C)C)C
• Isomeric SMILES: C[C@H](CC/C=C(\C)/C=O)[C@H]1CC[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C