(6S)-6-(beta-D-Glucopyranosyloxy)-2,6-dimethyl-1,7-octadien-3-one

Base Information

• Chemical Name: (6S)-6-(beta-D-Glucopyranosyloxy)-2,6-dimethyl-1,7-octadien-3-one
• CAS No.: 179983-86-9
• Molecular Formula: C16H26 O7
• DSSTox Substance ID: DTXSID201177024
• Nikkaji Number: J758.513F
• Wikidata: Q105178130
• Mol file: 179983-86-9.mol

Synonyms:SCHEMBL14716190;DTXSID201177024;(6S)-6-(beta-D-Glucopyranosyloxy)-2,6-dimethyl-1,7-octadien-3-one;179983-86-9

Chemical Property of (6S)-6-(beta-D-Glucopyranosyloxy)-2,6-dimethyl-1,7-octadien-3-one

Chemical Property:

• XLogP3: -0.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 330.16785316
• Heavy Atom Count: 23
• Complexity: 450

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=C)C(=O)CCC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)O
• Isomeric SMILES: CC(=C)C(=O)CC[C@@](C)(C=C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O