| SpectraBase Compound ID | 1kHg4NL6yiy |
|---|---|
| InChI | InChI=1S/C28H36O6/c1-17(29)21-11-14-28(33)26(21,3)23(34-24(31)18-7-5-4-6-8-18)16-22-25(2)12-10-20(30)15-19(25)9-13-27(22,28)32/h4-9,20-23,30,32-33H,10-16H2,1-3H3/t20-,21-,22+,23+,25-,26-,27-,28+/m0/s1 |
| InChIKey | QYGCNWGDTWSRCZ-XYCCFREGSA-N |
| Mol Weight | 468.6 g/mol |
| Molecular Formula | C28H36O6 |
| Exact Mass | 468.251189 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 23O2CXEEXFy |
|---|---|
| Name | 12-O-BENZOYL-LINEOLON |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H36O6 |
| InChI | InChI=1S/C28H36O6/c1-17(29)21-11-14-28(33)26(21,3)23(34-24(31)18-7-5-4-6-8-18)16-22-25(2)12-10-20(30)15-19(25)9-13-27(22,28)32/h4-9,20-23,30,32-33H,10-16H2,1-3H3/t20-,21-,22+,23+,25-,26-,27-,28+/m0/s1 |
| InChIKey | QYGCNWGDTWSRCZ-XYCCFREGSA-N |
| Literature Reference Author | P.RASOANAIVO,N.KANEDA,A.D.KINGHORN,N.R.FARNSWORTH |
| Literature Reference Citation | J.NAT.PROD.,54,1672(1991) |
| Literature Reference DOI | 10.1021/np50078a031 |
| Molecular Weight | 468.590 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED18170 |