| SpectraBase Compound ID | KjMOnlWEDGX |
|---|---|
| InChI | InChI=1S/C21H29IO4/c1-3-4-5-6-9-12-15-21(25)16-18(22)20(24)17(21)13-10-7-8-11-14-19(23)26-2/h7,9-10,12-13,16,25H,3-6,8,11,14-15H2,1-2H3/b10-7-,12-9-,17-13-/t21-/m1/s1 |
| InChIKey | WBVIHDHLOOPYQN-DJKWDOPVSA-N |
| Mol Weight | 472.36 g/mol |
| Molecular Formula | C21H29IO4 |
| Exact Mass | 472.111054 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AF5DXlNVNhD |
|---|---|
| Name | IODOVULONE-II |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H29IO4 |
| InChI | InChI=1S/C21H29IO4/c1-3-4-5-6-9-12-15-21(25)16-18(22)20(24)17(21)13-10-7-8-11-14-19(23)26-2/h7,9-10,12-13,16,25H,3-6,8,11,14-15H2,1-2H3/b10-7-,12-9-,17-13-/t21-/m1/s1 |
| InChIKey | WBVIHDHLOOPYQN-DJKWDOPVSA-N |
| Literature Reference Author | Y.C.SHEN,Y.B.CHENG,Y.C.LIN,J.H.GUH,C.M.TENG,C.L.KO |
| Literature Reference Citation | J.NAT.PROD.,67,542(2004) |
| Literature Reference DOI | 10.1021/np030435a |
| Molecular Weight | 472.363 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ7158 |