[(1S,2S,4S,5S,6R)-5-hydroxy-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-2-yl]methyl (Z)-3-phenylprop-2-enoate

Base Information

• Chemical Name: [(1S,2S,4S,5S,6R)-5-hydroxy-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-2-yl]methyl (Z)-3-phenylprop-2-enoate
• CAS No.: 76248-14-1
• Molecular Formula: C24H28O11
• Molecular Weight: 492.48
• Mol file: 76248-14-1.mol

Synonyms:Globularicisin;beta-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-((((2Z)-1-oxo-3-phenyl-2-propenyl)oxy)methyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl;76248-14-1

Chemical Property of [(1S,2S,4S,5S,6R)-5-hydroxy-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-2-yl]methyl (Z)-3-phenylprop-2-enoate

Chemical Property:

• Vapor Pressure: 1.62E-25mmHg at 25°C
• Boiling Point: 778.6°C at 760 mmHg
• Flash Point: 267.5°C
• PSA: 167.67000
• Density: 1.56g/cm³
• LogP: -1.32600
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 492.16316171
• Heavy Atom Count: 35
• Complexity: 826

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=CC(=O)OCC23C4C(C=COC4OC5C(C(C(C(O5)CO)O)O)O)C(C2O3)O
• Isomeric SMILES: C1=CC=C(C=C1)/C=C\C(=O)OC[C@@]23[C@@H]4[C@@H](C=COC4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)[C@@H]([C@@H]2O3)O