Goreishic acid I

Base Information

• Chemical Name: Goreishic acid I
• CAS No.: 129058-59-9
• Molecular Formula: C30H46 O4
• Molecular Weight: 470.6838
• DSSTox Substance ID: DTXSID00156051
• Nikkaji Number: J281.774H
• Wikidata: Q83024052
• Metabolomics Workbench ID: 143907
• Mol file: 129058-59-9.mol

Synonyms:2,3-dihydroxyursa-12,18-dien-28-oic acid;goreishic acid I

Chemical Property of Goreishic acid I

Chemical Property:

• Vapor Pressure: 2.43E-16mmHg at 25°C
• Boiling Point: 589.3°Cat760mmHg
• Flash Point: 324.2°C
• PSA: 77.76000
• Density: 1.16g/cm³
• LogP: 6.12450
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 470.33960994
• Heavy Atom Count: 34
• Complexity: 976

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2=C1C)C)C(=O)O
• Isomeric SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)C2=C1C)C)C(=O)O