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Azadirachtin D

CAT: 0013-GTR19279274-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19279274-01Size:10 mg
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Description
Azadirachtin D is an insect growth regulator that targets the ecdysone receptor (EcR) in insects. It disrupts the signaling pathway of 20-hydroxyecdysone, leading to inhibited development or death of the insects. Azadirachtin D holds potential for research on agricultural pests.
CAS Number
99399-65-2
Smiles
C[C@@]1 ([C@@]23[C@@] (C) (O2) [C@]4 (C[C@@]3 (O[C@]5 ([C@]4 (O) C=CO5) [H]) [H]) [H]) [C@]6 ([C@@]7 ([C@]8 ([C@@] ([C@H]1O) (OC[C@]8 (C) [C@H] (OC (C) =O) C[C@@H]7OC (/C (=C/C) /C) =O) [H]) [H]) CO[C@@]6 (C (OC) =O) O) [H]
Molecular Formula
C34H44O14
Molecular Weight
676.71
Notes
For research use only.

Chemical Information

CID 6443232
CAS Number99399-65-2
PubChem CID6443232
IUPAC Namemethyl (4S,5R,6S,7S,8S,11R,12R,14S,15S)-12-acetyloxy-4,7-dihydroxy-6-[(1R,2S,6S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6,11-dimethyl-14-[(E)-2-methylbut-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4-carboxylate
Molecular FormulaC34H44O14
Molecular Weight676.7
XLogP0.4
Topological Polar Surface Area189
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Heavy Atom Count48
Formal Charge0
Complexity1540
SMILES
C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@H]3[C@@H]2C14CO[C@@]([C@H]4[C@]([C@@H]3O)(C)[C@@]56C7C[C@@H]([C@@]5(O6)C)[C@]8(C=CO[C@H]8O7)O)(C(=O)OC)O)C)OC(=O)C
InChI
InChI=1S/C34H44O14/c1-8-15(2)24(37)46-19-12-18(45-16(3)35)28(4)13-43-21-22(28)31(19)14-44-33(40,26(38)41-7)25(31)29(5,23(21)36)34-20-11-17(30(34,6)48-34)32(39)9-10-42-27(32)47-20/h8-10,17-23,25,27,36,39-40H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20?,21-,22-,23+,25-,27-,28+,29+,30-,31?,32-,33-,34-/m0/s1
InChIKey
SNNRXIOWEMKFFZ-TXCILVRSSA-N
Chemical Structure
2D Structure
2D structure of CID 6443232
CAS: 99399-65-2
CID: 6443232
Formula: C34H44O14
MW: 676.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight676.7
XLogP30.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Exact Mass676.27310607
Monoisotopic Mass676.27310607
Topological Polar Surface Area189 Ų
Heavy Atom Count48
Formal Charge0
Complexity1540
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
BA2849-5Azadirachtin
FA18055-01Azadirachtin A
TBZ0072Azadirachtin I
HY-133108-01Azadirachtin B
FA183917-01Azadirachtin H
TRC-A797330-1MGAzadirachtin D

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