| SpectraBase Compound ID | 3Tk1NWanOfY |
|---|---|
| InChI | InChI=1S/C20H22O6/c1-19(2)10-6-20(25)7-11(22)14(13(10)17(20)23)15-16(19)9-4-3-8(21)5-12(9)26-18(15)24/h3-5,10,13,16-18,21,23-25H,6-7H2,1-2H3/t10-,13+,16+,17+,18?,20+/m0/s1 |
| InChIKey | QHHNPAAZNFEYEN-IHKPVCLBSA-N |
| Mol Weight | 358.39 g/mol |
| Molecular Formula | C20H22O6 |
| Exact Mass | 358.141638 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ga26wYa1X91 |
|---|---|
| Name | ISOMIROESTROL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H22O6 |
| InChI | InChI=1S/C20H22O6/c1-19(2)10-6-20(25)7-11(22)14(13(10)17(20)23)15-16(19)9-4-3-8(21)5-12(9)26-18(15)24/h3-5,10,13,16-18,21,23-25H,6-7H2,1-2H3/t10-,13+,16+,17+,18?,20+/m0/s1 |
| InChIKey | QHHNPAAZNFEYEN-IHKPVCLBSA-N |
| Literature Reference Author | S.CHANSAKAOW,T.ISHIKAWA,H.SEKI,K.SEKINE,M.OKADA,C.CHAICHANTI PYUTH |
| Literature Reference Citation | J.NAT.PROD.,63,173(2000) |
| Literature Reference DOI | 10.1021/np990547v |
| Molecular Weight | 358.391 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS24188 |