(5S)-3-[(2R,13R)-2,13-Dihydroxy-13-[(2R,5S)-tetrahydro-5-[(1S,4Z)-1-hydroxy-4-pentadecen-1-yl]-2-furanyl]tridecyl]-5-methyl-2(5H)-furanone

Base Information

• Chemical Name: (5S)-3-[(2R,13R)-2,13-Dihydroxy-13-[(2R,5S)-tetrahydro-5-[(1S,4Z)-1-hydroxy-4-pentadecen-1-yl]-2-furanyl]tridecyl]-5-methyl-2(5H)-furanone
• CAS No.: 168075-11-4
• Molecular Formula: C37H66 O6
• DSSTox Substance ID: DTXSID201101405
• Mol file: 168075-11-4.mol

Synonyms:DTXSID201101405;(5S)-3-[(2R,13R)-2,13-Dihydroxy-13-[(2R,5S)-tetrahydro-5-[(1S,4Z)-1-hydroxy-4-pentadecen-1-yl]-2-furanyl]tridecyl]-5-methyl-2(5H)-furanone;168075-11-4

Chemical Property of (5S)-3-[(2R,13R)-2,13-Dihydroxy-13-[(2R,5S)-tetrahydro-5-[(1S,4Z)-1-hydroxy-4-pentadecen-1-yl]-2-furanyl]tridecyl]-5-methyl-2(5H)-furanone

Chemical Property:

• XLogP3: 10.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 27
• Exact Mass: 606.48593982
• Heavy Atom Count: 43
• Complexity: 764

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCC=CCCC(C1CCC(O1)C(CCCCCCCCCCC(CC2=CC(OC2=O)C)O)O)O
• Isomeric SMILES: CCCCCCCCCC/C=C\CC[C@@H]([C@@H]1CC[C@@H](O1)[C@@H](CCCCCCCCCC[C@H](CC2=C[C@@H](OC2=O)C)O)O)O