Azadirachtin

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Systematic / IUPAC Name: Dimethyl (2aR,3S,4S,4aR,5S,7aS,8S,10R,10aS,10bR)-10-acetoxy-3,5-dihydroxy-4-[(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]-4-methyl-8-{[(2E)-2-methyl-2-butenoyl]oxy}octahydro-1H-furo[3',4':4,4a]naphtho[1,8-bc]furan-5,10a(8H)-dicarboxylate

ID: Reference1564

Other Names: Azadirachtin A

Formula: C35H44O16

Class: Pesticides/Herbicides

Spectral Data

Azadirachtin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 63
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/2/2014 1:31:41 PM
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Identificators

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
InChI Key FTNJWQUOZFUQQJ-NDAWSKJSSA-N
Canonical SMILES CC=C(C)C(=O)OC1CC(C2(COC3C2C14COC(C4C(C3O)(C)C56C7CC(C5(O6)C)C8(C=COC8O7)O)(C(=O)OC)O)C(=O)OC)OC(=O)C
CAS 11141176
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Other Names Azadirachtin A

In Other Databases

KEGG C08748
Wikipedia Azadirachtin
ChemSpider 10619174
PubChem 5281303