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Chemical structure of Azadiradione

GC72078

Azadiradione

Also known as [(5R,7R,9R,10R,13S,17R)-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3,16-dioxo-6,7,9,11,12,17-hexahydro-5H-cyclopenta[a]phenanthren-7-yl] acetate

Azadiradione is a bioactive limonoid found in Azadirachta indica

ChemicalCAS26241-51-0MW450.57FormulaC28H34O5
CAS number
26241-51-0
Molecular weight
450.57
Formula
C28H34O5
InChIKey
KWAMDQVQFVBEAU-BQDUOGPESA-N
Catalogue number
GC72078
Brand
GLPBIO
Computed properties PubChem CID 179475 · XLogP 4.8 · TPSA 73.6 Ų · H-bond donors 0
XLogP
4.8
TPSA
73.6 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
33

SMILES CC(=O)O[C@@H]1C[C@@H]2[C@](C=CC(=O)C2(C)C)([C@@H]3C1(C4=CC(=O)[C@H]([C@@]4(CC3)C)C5=COC=C5)C)C

Computed descriptors from PubChem (CID 179475), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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