| SpectraBase Compound ID | Hh4xw4K4650 |
|---|---|
| InChI | InChI=1S/C36H43NO14/c1-18-13-14-34(8,9)31(44)29(48-22(5)40)28(47-21(4)39)19(2)27(46-20(3)38)26-32(49-23(6)41)35(10,17-36(26,30(18)43)50-24(7)42)51-33(45)25-12-11-15-37-16-25/h11-16,18,26-29,32H,2,17H2,1,3-10H3/b14-13+/t18-,26+,27+,28+,29+,32-,35-,36-/m1/s1 |
| InChIKey | DDMLTEYNPFRZSK-JAEYSCMUSA-N |
| Mol Weight | 713.7 g/mol |
| Molecular Formula | C36H43NO14 |
| Exact Mass | 713.268355 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6eBmNPhD8Hb |
|---|---|
| Name | 3,5,7,8,15-Pentaacetoxy-2-(nicotinoyloxy)-9,14-dioxo-Jatropha-6(17),11(E)-diene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H43NO14 |
| InChI | InChI=1S/C36H43NO14/c1-18-13-14-34(8,9)31(44)29(48-22(5)40)28(47-21(4)39)19(2)27(46-20(3)38)26-32(49-23(6)41)35(10,17-36(26,30(18)43)50-24(7)42)51-33(45)25-12-11-15-37-16-25/h11-16,18,26-29,32H,2,17H2,1,3-10H3/b14-13+/t18-,26+,27+,28+,29+,32-,35-,36-/m1/s1 |
| InChIKey | DDMLTEYNPFRZSK-JAEYSCMUSA-N |
| Molecular Weight | 713.733 g/mol |
| SMILES | [C@]12([C@@]([C@](C([C@@]([C@](OC(=O)C)(C(C(\C=C\[C@](C2=O)(C)[H])(C)C)=O)[H])(OC(=O)C)[H])=C)(OC(=O)C)[H])([C@@](OC(=O)C)([C@@](C1)(OC(c1cnccc1)=O)C)[H])[H])OC(=O)C |
| SPLASH | splash10-0a4i-0900000000-e6c2309123b25d9e8a07 |
| Source of Spectrum | G4-61-755-14 |
| Wiley ID | 1607265 |