| SpectraBase Compound ID | KZaovTjTaj9 |
|---|---|
| InChI | InChI=1S/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)31(26(39)43-6)13-46-21-22(31)29(18,4)25-32(23(21)37)14-47-34(25,27(40)44-7)51-30(5)17-11-20(35(30,32)42)50-28-33(17,41)9-10-45-28/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 | TWGPOIQWWGNBKW-ROWKBVRJSA-N |
| Mol Weight | 720.7 g/mol |
| Molecular Formula | C35H44O16 |
| Exact Mass | 720.262935 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | D8Rih2l9YdT |
|---|---|
| Name | Azadirachtin A |
| CAS Registry Number | 11141-17-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H44O16 |
| InChI | InChI=1S/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)31(26(39)43-6)13-46-21-22(31)29(18,4)25-32(23(21)37)14-47-34(25,27(40)44-7)51-30(5)17-11-20(35(30,32)42)50-28-33(17,41)9-10-45-28/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 | TWGPOIQWWGNBKW-ROWKBVRJSA-N |
| Molecular Weight | 720.721 g/mol |
| SMILES | O[C@@]12[C@]3([C@@]4(O[C@@]5([C@@]6([C@@]([C@@]4([C@@](O[C@@]2(OC=C1)[H])(C3)[H])O)(CO5)[C@@]([C@]1([C@]2([C@@]([C@@](C[C@@]([C@]62C)(OC(\C(=C\C)C)=O)[H])(OC(=O)C)[H])(CO1)C(=O)OC)[H])[H])(O)[H])[H])C(=O)OC)C)[H] |
| SPLASH | splash10-0072-0292457000-584a57465ca1af6d4fc8 |
| Source of Spectrum | W5-38425-27111-27111 |
| Synonyms | EPA PESTICIDE CHEMICAL CODE 121701 |
| Wiley ID | 1415619 |