| SpectraBase Compound ID | 4V3tGL4Nrlz |
|---|---|
| InChI | InChI=1S/C24H42N2O6/c1-14(2)21-23(30)26-12-8-11-18(26)24(31)32-20(13-19(28)17(5)22(29)25-21)15(3)9-6-7-10-16(4)27/h14-21,27-28H,6-13H2,1-5H3,(H,25,29)/t15?,16?,17?,18-,19?,20?,21+/m0/s1 |
| InChIKey | JKARYSQDCYPQGG-AGASRBRESA-N |
| Mol Weight | 454.6 g/mol |
| Molecular Formula | C24H42N2O6 |
| Exact Mass | 454.304287 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7KioxmvBJ1m |
|---|---|
| Name | TRANS-ACREMOLIDE_D;MAJOR_CONFORMER |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H42N2O6 |
| InChI | InChI=1S/C24H42N2O6/c1-14(2)21-23(30)26-12-8-11-18(26)24(31)32-20(13-19(28)17(5)22(29)25-21)15(3)9-6-7-10-16(4)27/h14-21,27-28H,6-13H2,1-5H3,(H,25,29)/t15?,16?,17?,18-,19?,20?,21+/m0/s1 |
| InChIKey | JKARYSQDCYPQGG-AGASRBRESA-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 | 454.607 g/mol |
| Sample ID | 27384 |
| Solvent | DMSO-D6 |