alpha-Spinasterol glucoside

Base Information

• Chemical Name: alpha-Spinasterol glucoside
• CAS No.: 1745-36-4
• Molecular Formula: C35H58O6
• Molecular Weight: 574.8
• DSSTox Substance ID: DTXSID701292918
• Nikkaji Number: J410.400E,J832.640A
• Wikidata: Q105120376
• Mol file: 1745-36-4.mol

Synonyms:alpha-Spinasterol glucoside;1745-36-4;Spinasteryl glucoside;DTXSID701292918;AKOS032948466;Spinasterol 3-O-beta-D-glucopyranoside;FS-10483;(2R,3R,4S,5S,6R)-2-[[(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Chemical Property of alpha-Spinasterol glucoside

Chemical Property:

• PSA: 99.38000
• LogP: 5.62500
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 574.42333957
• Heavy Atom Count: 41
• Complexity: 962

Purity/Quality:

≥97% ^*data from raw suppliers

alpha-Spinasterolglucoside ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
• Isomeric SMILES: CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C(C)C