V6Pxe6SA7G

Base Information

• Chemical Name: V6Pxe6SA7G
• CAS No.: 101694-19-3
• Molecular Formula: C39H36 O14
• Molecular Weight: 728.69474
• UNII: V6PXE6SA7G
• Nikkaji Number: J595.417G
• Mol file: 101694-19-3.mol

Synonyms:A-132;V6PXE6SA7G;NSC-639831;10-[[6-Deoxy-2-O-(6-deoxy-3-O-methyl-alpha-D-galactopyranosyl)-3,4-O-[(R)-phenylmethylene]-beta-D-galactopyranosyl]oxy]-6-hydroxy-1-methylbenzo[h][1]benzopyrano[5,4,3-cde][1]benzopyran-5,12-dione;Benzo[h][1]benzopyrano[5,4,3-cde][1]benzopyran-5,12-dione, 10-[[6-deoxy-2-O-(6-deoxy-3-O-methyl-alpha-D-galactopyranosyl)-3,4-O-[(R)-phenylmethylene]-beta-D-galactopyranosyl]oxy]-6-hydroxy-1-methyl-

Chemical Property of V6Pxe6SA7G

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 185.72000
• Density: 1.56g/cm³
• LogP: 4.13080
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 6
• Exact Mass: 728.21050582
• Heavy Atom Count: 53
• Complexity: 1360

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C3C(C(OC2OC4=CC=CC5=C4C6=C7C8=C(C=CC(=C8C(=O)O6)C)OC(=O)C7=C5O)C)OC(O3)C9=CC=CC=C9)O)OC)O
• Isomeric SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]3[C@H]([C@H](O[C@H]2OC4=CC=CC5=C4C6=C7C8=C(C=CC(=C8C(=O)O6)C)OC(=O)C7=C5O)C)O[C@H](O3)C9=CC=CC=C9)O)OC)O