4-18-00-03417 (Beilstein Handbook Reference)

Base Information

• Chemical Name: 4-18-00-03417 (Beilstein Handbook Reference)
• CAS No.: 749-72-4
• Molecular Formula: C23H32O7
• Molecular Weight: 420.5
• Nikkaji Number: J48.395H
• Wikidata: Q76422235
• Mol file: 749-72-4.mol

Synonyms:749-72-4;BRN 0061056;4-18-00-03417 (Beilstein Handbook Reference);3-beta,5,12-beta,14-Tetrahydroxy-19-oxo-5-beta-card-20(22)-enolide;Card-20(22)-enolide, 3,5,12,14-tetrahydroxy-19-oxo-, (3-beta,5-beta,12-beta)-;5-beta-CARD-20(22)-ENOLIDE, 3-beta,5,12-beta,14-TETRAHYDROXY-19-OXO-

Chemical Property of 4-18-00-03417 (Beilstein Handbook Reference)

Chemical Property:

• Vapor Pressure: 2.25E-20mmHg at 25°C
• Boiling Point: 662.5°C at 760 mmHg
• Flash Point: 229.7°C
• PSA: 124.29000
• Density: 1.505g/cm³
• LogP: 0.86900
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 420.21480336
• Heavy Atom Count: 30
• Complexity: 809

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12C(CCC1(C3CCC4(CC(CCC4(C3CC2O)C=O)O)O)O)C5=CC(=O)OC5
• Isomeric SMILES: C[C@@]12[C@H](CC[C@@]1([C@@H]3CC[C@@]4(C[C@H](CC[C@@]4([C@H]3C[C@H]2O)C=O)O)O)O)C5=CC(=O)OC5