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Chemical structure of Tryptoquivaline D

GC48442

Tryptoquivaline D

Also known as [1-[3-(3-hydroxy-2-methyl-1,2'-dioxospiro[2,3a-dihydroimidazo[1,2-a]indole-4,5'-oxolane]-3'-yl)-4-oxoquinazolin-2-yl]-2-methylpropyl] acetate

A fungal metabolite with anticancer activity

ChemicalCAS60676-56-4MW532.5FormulaC28H28N4O7
CAS number
60676-56-4
Molecular weight
532.5
Formula
C28H28N4O7
InChIKey
HHNRKSWQUGTUBV-UHFFFAOYSA-N
Catalogue number
GC48442
Brand
GLPBIO
Computed properties PubChem CID 324966 · XLogP 2.6 · TPSA 129 Ų · H-bond donors 1
XLogP
2.6
TPSA
129 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
39

SMILES CC1C(=O)N2C(N1O)C3(CC(C(=O)O3)N4C(=O)C5=CC=CC=C5N=C4C(C(C)C)OC(=O)C)C6=CC=CC=C62

Computed descriptors from PubChem (CID 324966), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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