| SpectraBase Compound ID | kIRM727KPp |
|---|---|
| InChI | InChI=1S/C27H38O6/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-22-15-16-24(32-26(22)30)23-17-25(29)33-27(23)31-21(5)28/h9,11,13,15,17,24,26-27,30H,6-8,10,12,14,16H2,1-5H3/b19-11+,20-13+ |
| InChIKey | VUGACIGGQDGFLC-UFTLRZAHSA-N |
| Mol Weight | 458.6 g/mol |
| Molecular Formula | C27H38O6 |
| Exact Mass | 458.266839 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K9s12qRBC3b |
|---|---|
| Name | THORECTOLIDE-MONOACETATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H38O6 |
| InChI | InChI=1S/C27H38O6/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-22-15-16-24(32-26(22)30)23-17-25(29)33-27(23)31-21(5)28/h9,11,13,15,17,24,26-27,30H,6-8,10,12,14,16H2,1-5H3/b19-11+,20-13+ |
| InChIKey | VUGACIGGQDGFLC-UFTLRZAHSA-N |
| Literature Reference Author | R.C.CAMBIE,P.A.CRAW,P.R.BERGQUIST,P.KARUSO |
| Literature Reference Citation | J.NAT.PROD.,51,331(1988) |
| Literature Reference DOI | 10.1021/np50056a026 |
| Molecular Weight | 458.595 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED17307 |