| SpectraBase Compound ID | 62oYSVdvgTH |
|---|---|
| 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-KWBAFIGXSA-N |
| Mol Weight | 720.7 g/mol |
| Molecular Formula | C35H44O16 |
| Exact Mass | 720.262935 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3hqXPPKSQdU |
|---|---|
| Name | AZADIRACHTIN-A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H44O16 |
| 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-KWBAFIGXSA-N |
| Literature Reference Author | T.R.GOVINDACHARI,G.GOPALAKRISHNAN |
| Literature Reference Citation | PHYTOCHEM.,45,397(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00855-2 |
| Molecular Weight | 720.725 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSP1382 |