| SpectraBase Compound ID | HOE17Sy2WHR |
|---|---|
| InChI | InChI=1S/C27H40O4/c1-16-12-21(30)19(13-20(16)29)18-8-9-23-26(5,14-18)15-22(31-17(2)28)24-25(3,4)10-7-11-27(23,24)6/h8,12,19,21-24,30H,7,9-11,13-15H2,1-6H3/t19?,21-,22+,23?,24?,26+,27+/m0/s1 |
| InChIKey | AVKROXAXWOMCFG-PKVPPYHLSA-N |
| Mol Weight | 428.6 g/mol |
| Molecular Formula | C27H40O4 |
| Exact Mass | 428.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KQJLXzYZB8z |
|---|---|
| Name | SUBERITENONE-C |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H40O4 |
| InChI | InChI=1S/C27H40O4/c1-16-12-21(30)19(13-20(16)29)18-8-9-23-26(5,14-18)15-22(31-17(2)28)24-25(3,4)10-7-11-27(23,24)6/h8,12,19,21-24,30H,7,9-11,13-15H2,1-6H3/t19?,21-,22+,23?,24?,26+,27+/m0/s1 |
| InChIKey | AVKROXAXWOMCFG-PKVPPYHLSA-N |
| Literature Reference Author | H.S.LEE,J.W.AHN,Y.H.LEE,J.R.RHO,J.SHIN |
| Literature Reference Citation | J.NAT.PROD.,67,672(2004) |
| Literature Reference DOI | 10.1021/np030342t |
| Molecular Weight | 428.612 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMZ7068 |