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Chemical structure of Isomitraphylline

GC91485

Isomitraphylline

Also known as methyl (1S,4aS,5aS,6S,10aR)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate

Isomitraphylline is an alkaloid that has been found in U· tomentosa and has anticancer activity

ChemicalCAS4963-01-3MW368.4FormulaC21H24N2O4
CAS number
4963-01-3
Molecular weight
368.4
Formula
C21H24N2O4
Solubility
Acetonitrile： Slightly soluble： 0·1–1 mg/ml,Chloroform： Sparingly soluble： 1–10 mg/ml
InChIKey
JMIAZDVHNCCPDM-NWQITLLVSA-N
Catalogue number
GC91485
Brand
GLPBIO
Computed properties PubChem CID 11726520 · XLogP 1.6 · TPSA 67.9 Ų · H-bond donors 1
XLogP
1.6
TPSA
67.9 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
27

SMILES C[C@H]1[C@H]2CN3CC[C@@]4([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O

Computed descriptors from PubChem (CID 11726520), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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