| SpectraBase Compound ID | INh9aiRVk7r |
|---|---|
| InChI | InChI=1S/C25H40O6/c1-4-13-20-15-16-21(29-28-20)14-11-9-7-5-6-8-10-12-17-24(2)19-25(3)22(30-31-24)18-23(26)27-25/h11,14-16,20-22H,4-10,12-13,17-19H2,1-3H3/b14-11+/t20?,21?,22-,24-,25-/m0/s1 |
| InChIKey | SURQDOVQHNRVIS-GQNJOTHCSA-N |
| Mol Weight | 436.6 g/mol |
| Molecular Formula | C25H40O6 |
| Exact Mass | 436.282489 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8uNOCdzTIVL |
|---|---|
| Name | PLAKORTOPEROXIDE_D |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H40O6 |
| InChI | InChI=1S/C25H40O6/c1-4-13-20-15-16-21(29-28-20)14-11-9-7-5-6-8-10-12-17-24(2)19-25(3)22(30-31-24)18-23(26)27-25/h11,14-16,20-22H,4-10,12-13,17-19H2,1-3H3/b14-11+/t20?,21?,22-,24-,25-/m0/s1 |
| InChIKey | SURQDOVQHNRVIS-GQNJOTHCSA-N |
| Literature Reference Author | K.W.L.YONG,L.K.LAMBERT,P.Y.HAYES,J.J.DEVOSS,M.J.GARSON |
| Literature Reference Citation | J.NAT.PROD.,75,351(2012) |
| Literature Reference DOI | 10.1021/np200619q |
| Molecular Weight | 436.589 g/mol |
| Sample ID | 40113 |
| Solvent | CDCl3 |