CID 6436227

Base Information

• Chemical Name: CID 6436227
• CAS No.: 95258-16-5
• Molecular Formula: C34H46O17
• Molecular Weight: 726.729
• Mol file: 95258-16-5.mol

Synonyms:Yadanzioside C;95258-16-5;methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S)-15,16-dihydroxy-3-[(E)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate;Picras-1-en-21-oic acid, 13,20-epoxy-2-(.beta.-D-glucopyranosyloxy)-11,12-dihydroxy-15-[(4-hydroxy-3,4-dimethyl-1-oxo-2-pentenyl)oxy]-3,16-dioxo-, methyl ester, [11.beta.,12.alpha.,15.beta.(E)]-

Chemical Property of CID 6436227

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 943°Cat760mmHg
• Flash Point: 294.4°C
• PSA: 265.27000
• Density: 1.54g/cm³
• LogP: -2.61760
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 9
• Exact Mass: 726.27349999
• Heavy Atom Count: 51
• Complexity: 1540

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)O)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC
• Isomeric SMILES: C[C@H]1[C@@H]2C[C@@H]3[C@@]45COC([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\C)/C(C)(C)O)([C@H]([C@@H]([C@@H]5[C@]2(C=C(C1=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)O)C(=O)OC