Ikshusterol 3-O-glucoside

Base Information

• Chemical Name: Ikshusterol 3-O-glucoside
• CAS No.: 112137-81-2
• Molecular Formula: C35H60 O7
• Molecular Weight: 592.84700
• DSSTox Substance ID: DTXSID501204652
• Mol file: 112137-81-2.mol

Synonyms:Ikshusterol 3-O-glucoside;112137-81-2;Ikshusterol 3-O-beta-D-glucopyraside;(2R,3R,4S,5S,6R)-2-[[(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol;DTXSID501204652;HY-N4016;(3BETA,7ALPHA)-7-HYDROXYSTIGMAST-5-EN-3-YL BETA-D-GLUCOPYRANOSIDE;AKOS032962264;FS-10147;CS-0024444;(3,7)-7-Hydroxystigmast-5-en-3-yl -D-glucopyranoside;7-Hydroxysitosterol 3-O--D-glucoside

Chemical Property of Ikshusterol 3-O-glucoside

Chemical Property:

• Boiling Point: 704.8±60.0 °C(Predicted)
• PKA: 12.91±0.70(Predicted)
• PSA: 119.61000
• Density: 1.17±0.1 g/cm3(Predicted)
• LogP: 4.81980
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 592.43390425
• Heavy Atom Count: 42
• Complexity: 954

Purity/Quality:

99% ^*data from raw suppliers

Ikshusterol3-O-glucoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CCC(C)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)O)C)C(C)C
• Isomeric SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C)C(C)C