| SpectraBase Compound ID | 4QgXbJLlRe |
|---|---|
| InChI | InChI=1S/C27H38O5/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-14-23-15-16-25(30-18-23)24-17-26(29)32-27(24)31-22(5)28/h9,11,13,15,17,25,27H,6-8,10,12,14,16,18H2,1-5H3/b20-11+,21-13+ |
| InChIKey | WTTKLELNKPPZHS-VZLKJUJQSA-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 | 6tO3u5F1pwI |
|---|---|
| Name | THORECTOLIDE-MONOACETATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H38O5 |
| InChI | InChI=1S/C27H38O5/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-14-23-15-16-25(30-18-23)24-17-26(29)32-27(24)31-22(5)28/h9,11,13,15,17,25,27H,6-8,10,12,14,16,18H2,1-5H3/b20-11+,21-13+ |
| InChIKey | WTTKLELNKPPZHS-VZLKJUJQSA-N |
| Literature Reference Author | R.C.CAMBIE,P.R.BERGQUIST,P.KARUSO |
| Literature Reference Citation | J.NAT.PROD.,51,1014(1988) |
| Literature Reference DOI | 10.1021/np50059a041 |
| Molecular Weight | 442.596 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED18075 |