| SpectraBase Compound ID | CRMnnmqYvU7 |
|---|---|
| InChI | InChI=1S/C25H44N2O6/c1-6-15(2)22-24(31)27-13-9-12-19(27)25(32)33-21(14-20(29)18(5)23(30)26-22)16(3)10-7-8-11-17(4)28/h15-22,28-29H,6-14H2,1-5H3,(H,26,30)/t15-,16?,17?,18?,19-,20?,21?,22+/m0/s1 |
| InChIKey | QOCRZHBXYGQZJC-FZIUKITISA-N |
| Mol Weight | 468.6 g/mol |
| Molecular Formula | C25H44N2O6 |
| Exact Mass | 468.319937 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FSWgutBaKHl |
|---|---|
| Name | TRANS-ACREMOLIDE_C;MAJOR_CONFORMER |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H44N2O6 |
| InChI | InChI=1S/C25H44N2O6/c1-6-15(2)22-24(31)27-13-9-12-19(27)25(32)33-21(14-20(29)18(5)23(30)26-22)16(3)10-7-8-11-17(4)28/h15-22,28-29H,6-14H2,1-5H3,(H,26,30)/t15-,16?,17?,18?,19-,20?,21?,22+/m0/s1 |
| InChIKey | QOCRZHBXYGQZJC-FZIUKITISA-N |
| Literature Reference Author | R.RATNAYAKE,L.J.FREMLIN,E.LACEY,J.H.GILL,R.J.CAPON |
| Literature Reference Citation | J.NAT.PROD.,71,403(2008) |
| Literature Reference DOI | 10.1021/np070589g |
| Molecular Weight | 468.634 g/mol |
| Sample ID | 27382 |
| Solvent | DMSO-D6 |