| SpectraBase Compound ID | GahqFnWR81Y |
|---|---|
| InChI | InChI=1S/C25H42O6/c1-15(14-25(6)24(31-25)18(4)23(29-7)19(5)26)9-8-10-16(2)22-17(3)11-12-20(30-22)13-21(27)28/h8-10,15,17-20,22-24,26H,11-14H2,1-7H3,(H,27,28)/b9-8+,16-10+/t15?,17-,18?,19?,20+,22+,23?,24+,25+/m1/s1 |
| InChIKey | ISZXEMUWHQLLTC-MMUUXHFDSA-N |
| Mol Weight | 438.6 g/mol |
| Molecular Formula | C25H42O6 |
| Exact Mass | 438.298139 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JPsBrCyIvIM |
|---|---|
| Name | HERBOXIDINE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H42O6 |
| InChI | InChI=1S/C25H42O6/c1-15(14-25(6)24(31-25)18(4)23(29-7)19(5)26)9-8-10-16(2)22-17(3)11-12-20(30-22)13-21(27)28/h8-10,15,17-20,22-24,26H,11-14H2,1-7H3,(H,27,28)/b9-8+,16-10+/t15?,17-,18?,19?,20+,22+,23?,24+,25+/m1/s1 |
| InChIKey | ISZXEMUWHQLLTC-MMUUXHFDSA-N |
| Literature Reference Author | B.G.ISAAC,S.W.AYER,R.C.ELLIOTT,R.J.STONARD |
| Literature Reference Citation | J.ORG.CHEM.,57,7220(1992) |
| Literature Reference DOI | 10.1021/jo00052a042 |
| Molecular Weight | 438.605 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS6238 |