Insularine

Base Information

• Chemical Name: Insularine
• CAS No.: 549-07-5
• Molecular Formula: C38H40 N2 O6
• Molecular Weight: 620.734
• UNII: 60I96OKL0W
• Nikkaji Number: J563.883F
• Wikidata: Q27263227
• Mol file: 549-07-5.mol

Synonyms:Insularine;Insularine [MI];O-Methylinsulanoline;UNII-60I96OKL0W;60I96OKL0W;549-07-5;6,9-(Epoxymethano)-8,11:20,23-dietheno-1H,12H-(1,10)dioxacyclooctadecino(2,3,4-ij:11,12,13-i'j')diisoquinoline, 2,3,12a,13,14,15,24,24a-octahydro-5,17,18-trimethoxy-1,13-dimethyl-, (12aR,24aR)-;Q27263227

Chemical Property of Insularine

Chemical Property:

• Melting Point: 160°
• PSA: 61.86000
• LogP: 6.92200
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 620.28863700
• Heavy Atom Count: 46
• Complexity: 1030

Purity/Quality:

INSULARINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC2=CC(=C3C4=C2C1CC5=CC=C(C=C5)OC6=C7C(CC8=CC(=C(O4)C=C8)CO3)N(CCC7=CC(=C6OC)OC)C)OC
• Isomeric SMILES: CN1CCC2=CC(=C3C4=C2[C@H]1CC5=CC=C(C=C5)OC6=C7[C@@H](CC8=CC(=C(O4)C=C8)CO3)N(CCC7=CC(=C6OC)OC)C)OC
• Description: One of two closely related peptide alkaloids found in the roots of Ceanothus integerrimus Hook et Am., this base is obtained as colourless needles when crystallized from CHClrlight petroleum. It is strongly laevorotatory with [α]20D - 228° (c 0.2, CHCI3). The ultraviolet spectrum in MeOH has absorption maxima at 280 m with a shoulder at 252 mJ.1. The structure has been determined mainly from the mass spectrum fragmentation pattern.