![(4R,5S)-5-[[(1S,2Z)-1-ETHYL-3-IODO-2-PROPENYL]-OXY]-7-(4-METHOXYBENZYLOXY)-1-HEPTEN-4-OL](/api/spectrum/CsOYAlMQ5Aa/structure.png?h=300&w=458 "(4R,5S)-5-[[(1S,2Z)-1-ETHYL-3-IODO-2-PROPENYL]-OXY]-7-(4-METHOXYBENZYLOXY)-1-HEPTEN-4-OL")
| SpectraBase Compound ID | AdTb40BEPwG |
|---|---|
| InChI | InChI=1S/C20H29IO4/c1-4-6-19(22)20(25-17(5-2)11-13-21)12-14-24-15-16-7-9-18(23-3)10-8-16/h4,7-11,13,17,19-20,22H,1,5-6,12,14-15H2,2-3H3/b13-11-/t17-,19+,20-/m0/s1 |
| InChIKey | QVSAVQVBYRGBDQ-QXPLWRBSSA-N |
| Mol Weight | 460.35 g/mol |
| Molecular Formula | C20H29IO4 |
| Exact Mass | 460.111054 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CsOYAlMQ5Aa |
|---|---|
| Name | (4R,5S)-5-[[(1S,2Z)-1-ETHYL-3-IODO-2-PROPENYL]-OXY]-7-(4-METHOXYBENZYLOXY)-1-HEPTEN-4-OL |
| Compound Number | 30 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H29IO4 |
| InChI | InChI=1S/C20H29IO4/c1-4-6-19(22)20(25-17(5-2)11-13-21)12-14-24-15-16-7-9-18(23-3)10-8-16/h4,7-11,13,17,19-20,22H,1,5-6,12,14-15H2,2-3H3/b13-11-/t17-,19+,20-/m0/s1 |
| InChIKey | QVSAVQVBYRGBDQ-QXPLWRBSSA-N |
| Literature Reference Author | S.E.DENMARK,S.M.YANG |
| Literature Reference Citation | J.AM.CHEM.SOC.,126,12432(2004) |
| Literature Reference DOI | 10.1021/ja0466863 |
| Molecular Weight | 460.352 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN31609 |