3beta-Hydroxy-23-trans-ferulyloxyurs-12-en-28-oic acid

Base Information

• Chemical Name: 3beta-Hydroxy-23-trans-ferulyloxyurs-12-en-28-oic acid
• CAS No.: 109237-05-0
• Molecular Formula: C40H56 O7
• Molecular Weight: 648.8684
• Nikkaji Number: J758.455E
• Wikidata: Q105298443

Synonyms:3beta-Hydroxy-23-trans-ferulyloxyurs-12-en-28-oic acid;109237-05-0;3beta-Hydroxy-24-[(3-methoxy-4-hydroxy-trans-cinnamoyl)oxy]urs-12-en-28-oic acid;Urs-12-en-28-oic acid, 3-hydroxy-23-((3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl)oxy)-, (3b,4b(E))-

Chemical Property of 3beta-Hydroxy-23-trans-ferulyloxyurs-12-en-28-oic acid

Chemical Property:

• Vapor Pressure: 2.65E-23mmHg at 25°C
• Boiling Point: 744.9°C at 760 mmHg
• Flash Point: 222°C
• Density: 1.2g/cm³
• XLogP3: 8.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 648.40260412
• Heavy Atom Count: 47
• Complexity: 1290

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)COC(=O)C=CC6=CC(=C(C=C6)O)OC)O)C)C)C2C1C)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(CC[C@@H]([C@]5(C)COC(=O)/C=C/C6=CC(=C(C=C6)O)OC)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O

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