Cyclofoetoside B

Base Information

• Chemical Name: Cyclofoetoside B
• CAS No.: 108333-83-1
• Molecular Formula: C₄₇H₈₀O₁₈
• Molecular Weight: 933.141
• DSSTox Substance ID: DTXSID40331668
• Wikidata: Q27106285
• Mol file: 108333-83-1.mol

Synonyms:Cyclofoetoside B;108333-83-1;(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[[(1S,3R,6S,7S,8R,11S,12S,14S,16R)-15-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-7-(hydroxymethyl)-7,12,16-trimethyl-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol;C08939;CHEBI:4002;DTXSID40331668;Q27106285

Chemical Property of Cyclofoetoside B

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1025.8°Cat760mmHg
• Flash Point: 574.2°C
• PSA: 298.14000
• Density: 1.41g/cm³
• LogP: -0.58300
• XLogP3: 0
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 13
• Exact Mass: 932.53446570
• Heavy Atom Count: 65
• Complexity: 1680

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3CC4(C5CCC6C(C(CCC67C5(C7)CCC4(C3C(C)CCC(C(C)(C)O)O)C)OC8C(C(C(CO8)O)O)O)(C)CO)C)O)O)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@H]3C[C@]4([C@@H]5CC[C@H]6[C@@]([C@H](CC[C@]67[C@]5(C7)CC[C@@]4(C3[C@H](C)CC[C@@H](C(C)(C)O)O)C)O[C@H]8[C@@H]([C@H]([C@H](CO8)O)O)O)(C)CO)C)O)O)O)O)O)O