| SpectraBase Compound ID | cNeYJeqPUX |
|---|---|
| InChI | InChI=1S/C27H38O5/c1-5-6-25(32-16(2)28)27(4,31)24-10-9-22-21-15-23(30)18-13-17(7-8-19(29)14-18)20(21)11-12-26(22,24)3/h5-7,15,18-20,22,24-25,29,31H,8-14H2,1-4H3/b6-5+/t18-,19-,20+,22-,24-,25-,26?,27?/m0/s1 |
| InChIKey | IZVFLWXSSIJELF-XAYXITFSSA-N |
| Mol Weight | 442.6 g/mol |
| Molecular Formula | C27H38O5 |
| Exact Mass | 442.271924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 94yIN8IwXAO |
|---|---|
| Name | 22-ACETYLISOCYCLOCITRINOL-A |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H38O5 |
| InChI | InChI=1S/C27H38O5/c1-5-6-25(32-16(2)28)27(4,31)24-10-9-22-21-15-23(30)18-13-17(7-8-19(29)14-18)20(21)11-12-26(22,24)3/h5-7,15,18-20,22,24-25,29,31H,8-14H2,1-4H3/b6-5+/t18-,19-,20+,22-,24-,25-,26?,27?/m0/s1 |
| InChIKey | IZVFLWXSSIJELF-XAYXITFSSA-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 | 442.596 g/mol |
| Sample ID | 38772 |
| Solvent | CDCl3 |