Shatavarin IV

Base Information

• Chemical Name: Shatavarin IV
• CAS No.: 84633-34-1
• Deprecated CAS: 113982-32-4
• Molecular Formula: C45H74O17
• Molecular Weight: 887.0589
• UNII: Z905922Y1P
• DSSTox Substance ID: DTXSID501317487
• Nikkaji Number: J2.360.563E
• Wikidata: Q27108242
• Mol file: 84633-34-1.mol

Synonyms:Shatavarin IV;Asparanin B;Curillin H;84633-34-1;Sarsasapogenin 3-O-4G-rhamnosylsophoroside;UNII-Z905922Y1P;Z905922Y1P;113982-32-4;(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;beta-D-Glucopyranoside, (3beta,5beta,25S)-spirostan-3-ylO-6-deoxy-alpha-L-mannopyranosyl-(1->4)-O-(beta-D-glucopyranosyl-(1->2))-;C08912;SESAMOL(RG);CHEBI:9039;DTXSID501317487;AKOS040762337;Asparanin B, >=90% (LC/MS-ELSD);Q27108242;.BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,5.BETA.,25S)-SPIROSTAN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->4)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->2))-

Chemical Property of Shatavarin IV

Chemical Property:

• Melting Point: 188-189℃
• Boiling Point: °Cat760mmHg
• PKA: 12?+-.0.70(Predicted)
• Flash Point: °C
• PSA: 255.91000
• Density: 1.41g/cm³
• LogP: 0.29400
• Storage Temp.: ?20°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 8
• Exact Mass: 886.49260089
• Heavy Atom Count: 62
• Complexity: 1560

Purity/Quality:

98%Min ^*data from raw suppliers

Asparanin B ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)OC1
• Isomeric SMILES: C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)C)C)C)OC1
• Uses: Asparanin B is used in Thai traditional medicines and s a saponin glycoside used in protection against lipid peroxidation and carcinogenesis.