1-Hydroxy-3-((4-hydroxybenzoyl)oxy)-D-friedoolean-14-en-28-oic acid (1beta,3beta)-

Base Information

• Chemical Name: 1-Hydroxy-3-((4-hydroxybenzoyl)oxy)-D-friedoolean-14-en-28-oic acid (1beta,3beta)-
• CAS No.: 155510-77-3
• Molecular Formula: C37H52 O6
• Molecular Weight: 592.81
• NSC Number: 692256
• DSSTox Substance ID: DTXSID20935224
• Nikkaji Number: J643.312J
• Wikidata: Q82911250
• Metabolomics Workbench ID: 64734
• ChEMBL ID: CHEMBL449431
• Mol file: 155510-77-3.mol

Synonyms:1-hydroxymaprounic 3-p-hydroxybenzoate;HOBz-OHMAP

Chemical Property of 1-Hydroxy-3-((4-hydroxybenzoyl)oxy)-D-friedoolean-14-en-28-oic acid (1beta,3beta)-

Chemical Property:

• Vapor Pressure: 2.64E-20mmHg at 25°C
• Boiling Point: 695.5°Cat760mmHg
• Flash Point: 211°C
• PSA: 104.06000
• Density: 1.21g/cm³
• LogP: 7.77470
• XLogP3: 8.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 592.37638937
• Heavy Atom Count: 43
• Complexity: 1180

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC2(CC=C3C4(CCC5C(C(CC(C5(C4CCC3(C2C1)C)C)O)OC(=O)C6=CC=C(C=C6)O)(C)C)C)C(=O)O)C
• Isomeric SMILES: C[C@@]12CC[C@@H]3[C@@]([C@H]1CC[C@@]4(C2=CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)([C@@H](C[C@@H](C3(C)C)OC(=O)C6=CC=C(C=C6)O)O)C