![6-[6-(3-[3-(ACETYLOXY)-2-METHOXY-1-METHYLBUTYL]-2-METHYLOXIRANYL)-1,5-DIMETHYL-1,3-HEXADIENYL]-TETRAHYDRO-5-METHYL-2H-PYRAN-2-ACETIC-ACID;HERBOXIDINE-ACETAT;#2](/api/spectrum/ABZ9ZAI0YDL/structure.png?h=300&w=458 "6-[6-(3-[3-(ACETYLOXY)-2-METHOXY-1-METHYLBUTYL]-2-METHYLOXIRANYL)-1,5-DIMETHYL-1,3-HEXADIENYL]-TETRAHYDRO-5-METHYL-2H-PYRAN-2-ACETIC-ACID;HERBOXIDINE-ACETAT;#2")
| SpectraBase Compound ID | Kri9VuujHvv |
|---|---|
| InChI | InChI=1S/C27H44O7/c1-16(10-9-11-17(2)24-18(3)12-13-22(33-24)14-23(29)30)15-27(7)26(34-27)19(4)25(31-8)20(5)32-21(6)28/h9-11,16,18-20,22,24-26H,12-15H2,1-8H3,(H,29,30)/b10-9+,17-11+/t16?,18-,19?,20?,22+,24+,25?,26+,27+/m1/s1 |
| InChIKey | BZIBMFNXRBEFMO-XFMAPVBYSA-N |
| Mol Weight | 480.6 g/mol |
| Molecular Formula | C27H44O7 |
| Exact Mass | 480.308704 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ABZ9ZAI0YDL |
|---|---|
| Name | 6-[6-(3-[3-(ACETYLOXY)-2-METHOXY-1-METHYLBUTYL]-2-METHYLOXIRANYL)-1,5-DIMETHYL-1,3-HEXADIENYL]-TETRAHYDRO-5-METHYL-2H-PYRAN-2-ACETIC-ACID;HERBOXIDINE-ACETAT;#2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O7 |
| InChI | InChI=1S/C27H44O7/c1-16(10-9-11-17(2)24-18(3)12-13-22(33-24)14-23(29)30)15-27(7)26(34-27)19(4)25(31-8)20(5)32-21(6)28/h9-11,16,18-20,22,24-26H,12-15H2,1-8H3,(H,29,30)/b10-9+,17-11+/t16?,18-,19?,20?,22+,24+,25?,26+,27+/m1/s1 |
| InChIKey | BZIBMFNXRBEFMO-XFMAPVBYSA-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 | 480.642 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS6239 |