Tulipanin

Base Information

• Chemical Name: Tulipanin
• CAS No.: 15674-58-5
• Molecular Formula: C27H31 O16 . Cl
• Molecular Weight: 646.987
• Nikkaji Number: J400.935E
• Wikipedia: Tulipanin
• Wikidata: Q7852090
• Metabolomics Workbench ID: 48017
• Mol file: 15674-58-5.mol

Synonyms:Tulipanin;delphinidin 3-rutinoside;Delphinidin-3-rutinoside;CHEBI:80441;Delphinidin 3-rhamnosyl-glucoside;Q7852090;5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1$l^{4}-chromen-1-ylium

Chemical Property of Tulipanin

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 159.99000
• Density: g/cm³
• LogP: -1.74630
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 6
• Exact Mass: 611.16120990
• Heavy Atom Count: 43
• Complexity: 902

Purity/Quality:

99% ^*data from raw suppliers

Tulipanin chloride; Delphinidin 3-O-rutinoside chloride ^*data from reagent suppliers

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)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C(=C5)O)O)O)O)O)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)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C(=C5)O)O)O)O)O)O)O)O)O)O)O