| SpectraBase Compound ID | DPhgtkP98nh |
|---|---|
| InChI | InChI=1S/C25H36O4/c1-4-5-23(28)25(3,29)22-9-8-20-19-14-21(27)16-12-15(6-7-17(26)13-16)18(19)10-11-24(20,22)2/h4-6,14,16-18,20,22-23,26,28-29H,7-13H2,1-3H3/b5-4+/t16-,17-,18+,20-,22-,23-,24-,25?/m0/s1 |
| InChIKey | UVBQBSNVVCZFQB-WXGFPOCISA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C25H36O4 |
| Exact Mass | 400.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ojA7833xYh |
|---|---|
| Name | ISOCYCLOCITRINOL-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H36O4 |
| InChI | InChI=1S/C25H36O4/c1-4-5-23(28)25(3,29)22-9-8-20-19-14-21(27)16-12-15(6-7-17(26)13-16)18(19)10-11-24(20,22)2/h4-6,14,16-18,20,22-23,26,28-29H,7-13H2,1-3H3/b5-4+/t16-,17-,18+,20-,22-,23-,24-,25?/m0/s1 |
| InChIKey | UVBQBSNVVCZFQB-WXGFPOCISA-N |
| Literature Reference Author | T.AMAGATA,A.AMAGATA,K.TENNEY,F.A.VALERIOTE,E.LOBKOVSKY,J.CLA RDY,P.CREWS |
| Literature Reference Citation | ORG.LETTERS,5,4393(2003) |
| Literature Reference DOI | 10.1021/ol0356800 |
| Molecular Weight | 400.558 g/mol |
| Sample ID | 38771 |
| Solvent | CDCl3 |