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Epoxyazadiradione

CAT: 0572-TRC-E590018-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E590018-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
18385-59-6
Synonyms
Nimbinin; 14,15-Epoxy-14H-cyclopenta[a]phenanthrene, 24-norchola-1,20,22-triene-3,16-dione deriv.; Azadiradione 14β,15β-Epoxide
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C(=O)[C@H]5O[C@@]45[C@]13C)c6cocc6
Molecular Formula
C28 H34 O6
Molecular Weight
466.56
InChI
InChI=1S/C28H34O6/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)22(31)23-28(26,34-23)27(17,20)6/h8-10,12,14,17-18,20-21,23H,7,11,13H2,1-6H3/t17-,18+,20-,21-,23-,25-,26+,27+,28-/m1/s1
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Epoxyazadiradione

Epoxyazadiradione is a limonoid that is azadiradione with an epoxy group across positions 14 and 15. Isolated from Azadirachta indica it exhibits insecticidal activitry against mosquitoes. It has a role as an insecticide, an anti-inflammatory agent and a plant metabolite. It is a member of furans, a pentacyclic triterpenoid, an epoxide, a cyclic terpene ketone, a limonoid and an acetate ester. It is functionally related to an azadiradione.

CAS Number18385-59-6
PubChem CID49863985
IUPAC Name[(1S,2R,4S,6S,7S,10R,11R,16R,18R)-6-(furan-3-yl)-1,7,11,15,15-pentamethyl-5,14-dioxo-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadec-12-en-18-yl] acetate
Molecular FormulaC28H34O6
Molecular Weight466.6
XLogP4.2
Topological Polar Surface Area86.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count34
Formal Charge0
Complexity1010
SMILES
CC(=O)O[C@@H]1C[C@@H]2[C@](C=CC(=O)C2(C)C)([C@@H]3[C@@]1([C@]45[C@H](O4)C(=O)[C@H]([C@@]5(CC3)C)C6=COC=C6)C)C
InChI
InChI=1S/C28H34O6/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)22(31)23-28(26,34-23)27(17,20)6/h8-10,12,14,17-18,20-21,23H,7,11,13H2,1-6H3/t17-,18+,20-,21-,23-,25-,26+,27+,28-/m1/s1
InChIKey
NEYCGDYQBQONFC-GGPFZBFUSA-N
Chemical Structure
2D Structure
2D structure of Epoxyazadiradione
CAS: 18385-59-6
CID: 49863985
Formula: C28H34O6
MW: 466.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.6
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass466.23553880
Monoisotopic Mass466.23553880
Topological Polar Surface Area86.1 Ų
Heavy Atom Count34
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA2206-1Epoxyazadiradione
HY-N1647314,15-Epoxyazadiradione

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