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Azadirachtin

CAT: 1596-AR-A03084-01Size: 150Dry Ice: NoHazardous: No
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CAS Number
11141-17-6
Synonyms
(2aS,3R,5S,5aS,5bR,6R,7aS,8S,8aS,11aS,13S,13aS,13bR,14S,14aR) -dimethyl 3-acetoxy-8a,13a,14-trihydroxy-5a,7a-dimethyl-5- (((E) -2-methylbut-2-enoyl) oxy) -2a,2a1,3,4,5,5a,5b,6,7a,8,8a,11a,13,13a,14,14a-hexadecahydro-2H-6,13b- (epoxymethano) -8,13-methanofuro[3',2':6,7]oxepino[4,3-c]isobenzofuro[1,7-gh]isochromene-2a,6-dicarboxylate; (2aR,3S,4S,4aR,5S,7aS,8S,10R,10aS,10bR) -10- (Acetyloxy) octahydro-3,5-dihydroxy-4-methyl-8-[[ (2E) -2-methyl-1-oxo-2-buten-1-yl]oxy]-4-[ (1aR,2S,3aS,6aS,7S,7aS) -3a,6a,7,7a-tetrahydro-6a-hydroxy-7a-methyl-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a (2H) -yl]-1H,7H-naphtho[1,8-bc:4,4a-c']difuran-5 10a (8H) -dicarboxylic Acid 5,10a-Dimethyl Ester; Align; Azatin; Azatin EC; Azatin Magnum; Azatin XL; BioNEEM; Ecozin; Gronim; NeemAzal F; NeemAzal T; NeemAzal W; Neemazol; Neemgold; Nimbicidine; Nimurin; Oikos; Oikos 25 plus; Oikos 323 Bio; Ornazin; Safer BioNEEM; Suneem; Superneem
Molecular Formula
C35H44O16
Molecular Weight
720.72
API Name
Azadirachtin

Chemical Information

Azadirachtin

Azadirachtin A is a member of the family of azadirachtins that is isolated from the neem tree (Azadirachta indica). It has a role as a hepatoprotective agent. It is a methyl ester, a tertiary alcohol, an epoxide, a secondary alcohol, an organic heterotetracyclic compound, an azadirachtin, an acetate ester, an enoate ester and a cyclic hemiketal.

CAS Number11141-17-6
PubChem CID5281303
IUPAC Namedimethyl (1S,4S,5R,6S,7S,8R,11S,12R,14S,15R)-12-acetyloxy-4,7-dihydroxy-6-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6-methyl-14-[(E)-2-methylbut-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylate
Molecular FormulaC35H44O16
Molecular Weight720.7
XLogP-0.6
Topological Polar Surface Area215
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count10
Heavy Atom Count51
Formal Charge0
Complexity1660
SMILES
C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]14CO[C@@]([C@H]4[C@]([C@@H]3O)(C)[C@@]56[C@@H]7C[C@H]([C@@]5(O6)C)[C@]8(C=CO[C@H]8O7)O)(C(=O)OC)O)C(=O)OC)OC(=O)C
InChI
InChI=1S/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20+,21-,22-,23-,25+,28+,29-,30+,31+,32+,33+,34+,35+/m1/s1
InChIKey
FTNJWQUOZFUQQJ-NDAWSKJSSA-N
Chemical Structure
2D Structure
2D structure of Azadirachtin
CAS: 11141-17-6
CID: 5281303
Formula: C35H44O16
MW: 720.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight720.7
XLogP3-0.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count10
Exact Mass720.26293531
Monoisotopic Mass720.26293531
Topological Polar Surface Area215 Ų
Heavy Atom Count51
Formal Charge0
Complexity1660
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA2849-5Azadirachtin
FA18055-01Azadirachtin A
TBZ0072Azadirachtin I
HY-133108-01Azadirachtin B
GTR19279240-01Azadirachtin H
TRC-A797330-1MGAzadirachtin D

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