Isotryptoquivaline

Base Information

• Chemical Name: Isotryptoquivaline
• CAS No.: 61897-83-4
• Molecular Formula: C29H30N4O7
• DSSTox Substance ID: DTXSID70210917
• Wikidata: Q83085754

Synonyms:Isotryptoquivaline;61897-83-4;Spiro(furan-2(5H),9'(9H)imidazo(1,2-a)indole)-3',5(2'H)-dione, 1'-(acetyloxy)-1',3,4,9'a-tetrahydro-4-(2-(1-hydroxy-2-methylpropyl)-4-oxo-3(4H)-quinazolinyl)-2',2'-dimethyl-, (4'alpha(4S*(R*)),9'abeta)-(+)-;DTXSID70210917;C29H30N4O7;C29-H30-N4-O7

Chemical Property of Isotryptoquivaline

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 546.21144931
• Heavy Atom Count: 40
• Complexity: 1150

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C1=NC2=CC=CC=C2C(=O)N1C3CC4(C5N(C6=CC=CC=C64)C(=O)C(N5OC(=O)C)(C)C)OC3=O)O
• Isomeric SMILES: CC(C)[C@H](C1=NC2=CC=CC=C2C(=O)N1[C@H]3C[C@@]4([C@@H]5N(C6=CC=CC=C64)C(=O)C(N5OC(=O)C)(C)C)OC3=O)O

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